5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C37H46N14O3S2 — CID 158836691

IUPAC5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(NC3CCC(N)CC3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(NC3CCC(NC(=O)c4ccccc4)CC3)cnc2C(N)=O)sn1
InChIInChI=1S/C22H25N7O2S.C15H21N7OS/c1-13-11-18(32-29-13)28-21-19(20(23)30)24-12-17(27-21)25-15-7-9-16(10-8-15)26-22(31)14-5-3-2-4-6-14;1-8-6-12(24-22-8)21-15-13(14(17)23)18-7-11(20-15)19-10-4-2-9(16)3-5-10/h2-6,11-12,15-16H,7-10H2,1H3,(H2,23,30)(H,26,31)(H2,25,27,28);6-7,9-10H,2-5,16H2,1H3,(H2,17,23)(H2,19,20,21)
InChIKeyIXSOMTOAAUHYBT-UHFFFAOYSA-N
MW799.00 g/mol
LogP5.00
Rot. Bonds12

About 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 158836691) has the molecular formula C37H46N14O3S2 and a molecular weight of 799.00 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
PubChem CID158836691
Molecular FormulaC37H46N14O3S2
Molecular Weight799.00 g/mol
Exact Mass798.33
IUPAC Name5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(NC3CCC(N)CC3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(NC3CCC(NC(=O)c4ccccc4)CC3)cnc2C(N)=O)sn1
InChIInChI=1S/C22H25N7O2S.C15H21N7OS/c1-13-11-18(32-29-13)28-21-19(20(23)30)24-12-17(27-21)25-15-7-9-16(10-8-15)26-22(31)14-5-3-2-4-6-14;1-8-6-12(24-22-8)21-15-13(14(17)23)18-7-11(20-15)19-10-4-2-9(16)3-5-10/h2-6,11-12,15-16H,7-10H2,1H3,(H2,23,30)(H,26,31)(H2,25,27,28);6-7,9-10H,2-5,16H2,1H3,(H2,17,23)(H2,19,20,21)
InChIKeyIXSOMTOAAUHYBT-UHFFFAOYSA-N
XLogP5.00
TPSA266.76 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500799.00
LogP ≤ 55.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide with MolForge

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Related Compounds

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
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;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 159518448
5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 78117048
5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 161207759
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(3-methyl-1,2-thiazol-5-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72705802
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 154680874
sodium;5-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-6-chloro-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;chloride
CID 159360085
5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide
CID 66643257
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 158836691) is 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(NC3CCC(N)CC3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(NC3CCC(NC(=O)c4ccccc4)CC3)cnc2C(N)=O)sn1.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The InChIKey is IXSOMTOAAUHYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S.C15H21N7OS/c1-13-11-18(32-29-13)28-21-19(20(23)30)24-12-17(27-21)25-15-7-9-16(10-8-15)26-22(31)14-5-3-2-4-6-14;1-8-6-12(24-22-8)21-15-13(14(17)23)18-7-11(20-15)19-10-4-2-9(16)3-5-10/h2-6,11-12,15-16H,7-10H2,1H3,(H2,23,30)(H,26,31)(H2,25,27,28);6-7,9-10H,2-5,16H2,1H3,(H2,17,23)(H2,19,20,21).
What are the key properties of 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 799.00 g/mol, XLogP of 5.00, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(4-benzamidocyclohexyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 158836691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).