5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride

C33H48ClN15O3S2 — CID 161478342

IUPAC5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride
SMILESCc1cc(Nc2nc(N3CCC(CN)CC3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC(CNC(=O)N(C)C)CC3)cnc2C(N)=O)sn1.Cl
InChIInChI=1S/C18H26N8O2S.C15H21N7OS.ClH/c1-11-8-14(29-24-11)23-17-15(16(19)27)20-10-13(22-17)26-6-4-12(5-7-26)9-21-18(28)25(2)3;1-9-6-12(24-21-9)20-15-13(14(17)23)18-8-11(19-15)22-4-2-10(7-16)3-5-22;/h8,10,12H,4-7,9H2,1-3H3,(H2,19,27)(H,21,28)(H,22,23);6,8,10H,2-5,7,16H2,1H3,(H2,17,23)(H,19,20);1H
InChIKeyZGKZMMPDUIKANL-UHFFFAOYSA-N
MW802.44 g/mol
LogP3.25
Rot. Bonds11

About 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride

5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride (PubChem CID 161478342) has the molecular formula C33H48ClN15O3S2 and a molecular weight of 802.44 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride
PubChem CID161478342
Molecular FormulaC33H48ClN15O3S2
Molecular Weight802.44 g/mol
Exact Mass801.32
IUPAC Name5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride
SMILESCc1cc(Nc2nc(N3CCC(CN)CC3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC(CNC(=O)N(C)C)CC3)cnc2C(N)=O)sn1.Cl
InChIInChI=1S/C18H26N8O2S.C15H21N7OS.ClH/c1-11-8-14(29-24-11)23-17-15(16(19)27)20-10-13(22-17)26-6-4-12(5-7-26)9-21-18(28)25(2)3;1-9-6-12(24-21-9)20-15-13(14(17)23)18-8-11(19-15)22-4-2-10(7-16)3-5-22;/h8,10,12H,4-7,9H2,1-3H3,(H2,19,27)(H,21,28)(H,22,23);6,8,10H,2-5,7,16H2,1H3,(H2,17,23)(H,19,20);1H
InChIKeyZGKZMMPDUIKANL-UHFFFAOYSA-N
XLogP3.25
TPSA252.42 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500802.44
LogP ≤ 53.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea
CID 144857942
5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 161207759
5-[(3S)-3-[2-(3-methylphenyl)-2-oxoethyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 157434916
5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135361970
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 154680874
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide
CID 158930475
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3R)-3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 155059796
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 161294354
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 135361534
N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide
CID 135361829
1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide
CID 145200979
5-[(1-amino-4,4-difluoro-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 78116895

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride (CID 161478342) is 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride is Cc1cc(Nc2nc(N3CCC(CN)CC3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCC(CNC(=O)N(C)C)CC3)cnc2C(N)=O)sn1.Cl.
What is the InChIKey of 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is ZGKZMMPDUIKANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O2S.C15H21N7OS.ClH/c1-11-8-14(29-24-11)23-17-15(16(19)27)20-10-13(22-17)26-6-4-12(5-7-26)9-21-18(28)25(2)3;1-9-6-12(24-21-9)20-15-13(14(17)23)18-8-11(19-15)22-4-2-10(7-16)3-5-22;/h8,10,12H,4-7,9H2,1-3H3,(H2,19,27)(H,21,28)(H,22,23);6,8,10H,2-5,7,16H2,1H3,(H2,17,23)(H,19,20);1H.
What are the key properties of 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride?
5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 802.44 g/mol, XLogP of 3.25, 11 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[4-[(dimethylcarbamoylamino)methyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 161478342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).