ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea

C18H30N8O2S — CID 144857942

IUPACethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea
SMILESCC.CNC(N)=O.Cc1cc(Nc2nc(N3CCCCC3)cnc2C(N)=O)sn1
InChIInChI=1S/C14H18N6OS.C2H6N2O.C2H6/c1-9-7-11(22-19-9)18-14-12(13(15)21)16-8-10(17-14)20-5-3-2-4-6-20;1-4-2(3)5;1-2/h7-8H,2-6H2,1H3,(H2,15,21)(H,17,18);1H3,(H3,3,4,5);1-2H3
InChIKeyUSXOVHMTNMVUNN-UHFFFAOYSA-N
MW422.56 g/mol
LogP2.39
Rot. Bonds4

About ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea

ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea (PubChem CID 144857942) has the molecular formula C18H30N8O2S and a molecular weight of 422.56 g/mol. Its IUPAC name is ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea.

Molecular Properties

Compound Nameethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea
PubChem CID144857942
Molecular FormulaC18H30N8O2S
Molecular Weight422.56 g/mol
Exact Mass422.22
IUPAC Nameethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea
SMILESCC.CNC(N)=O.Cc1cc(Nc2nc(N3CCCCC3)cnc2C(N)=O)sn1
InChIInChI=1S/C14H18N6OS.C2H6N2O.C2H6/c1-9-7-11(22-19-9)18-14-12(13(15)21)16-8-10(17-14)20-5-3-2-4-6-20;1-4-2(3)5;1-2/h7-8H,2-6H2,1H3,(H2,15,21)(H,17,18);1H3,(H3,3,4,5);1-2H3
InChIKeyUSXOVHMTNMVUNN-UHFFFAOYSA-N
XLogP2.39
TPSA152.15 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 159518448
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3R)-3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 155059796
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 135361534
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
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
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
1,1-dimethylurea;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyridine-2-carboxamide
CID 145200979
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
5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135362249
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

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea?
The IUPAC name of ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea (CID 144857942) is ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea.
What is the SMILES notation for ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea?
The canonical SMILES for ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea is CC.CNC(N)=O.Cc1cc(Nc2nc(N3CCCCC3)cnc2C(N)=O)sn1.
What is the InChIKey of ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea?
The InChIKey is USXOVHMTNMVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS.C2H6N2O.C2H6/c1-9-7-11(22-19-9)18-14-12(13(15)21)16-8-10(17-14)20-5-3-2-4-6-20;1-4-2(3)5;1-2/h7-8H,2-6H2,1H3,(H2,15,21)(H,17,18);1H3,(H3,3,4,5);1-2H3.
What are the key properties of ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea?
ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea has a molecular weight of 422.56 g/mol, XLogP of 2.39, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea is sourced from PubChem (CID 144857942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).