3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide

C14H19N7OS — CID 135361379

IUPAC3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide
SMILESCc1cnsc1Nc1nc(N[C@@H]2CCCNC2)cnc1C(N)=O
InChIInChI=1S/C14H19N7OS/c1-8-5-18-23-14(8)21-13-11(12(15)22)17-7-10(20-13)19-9-3-2-4-16-6-9/h5,7,9,16H,2-4,6H2,1H3,(H2,15,22)(H2,19,20,21)/t9-/m1/s1
InChIKeyVKKGFMAMQALUCQ-SECBINFHSA-N
MW333.42 g/mol
LogP1.25
Rot. Bonds5

About 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide

3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide (PubChem CID 135361379) has the molecular formula C14H19N7OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide
PubChem CID135361379
Molecular FormulaC14H19N7OS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide
SMILESCc1cnsc1Nc1nc(N[C@@H]2CCCNC2)cnc1C(N)=O
InChIInChI=1S/C14H19N7OS/c1-8-5-18-23-14(8)21-13-11(12(15)22)17-7-10(20-13)19-9-3-2-4-16-6-9/h5,7,9,16H,2-4,6H2,1H3,(H2,15,22)(H2,19,20,21)/t9-/m1/s1
InChIKeyVKKGFMAMQALUCQ-SECBINFHSA-N
XLogP1.25
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-(3-methylanilino)-2-[[(3S)-piperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 56671791
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3R)-3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 155059796
3-(1-piperidin-3-ylethylamino)pyrazine-2-carboxamide
CID 62685001
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
3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide
CID 66643257
methyl 6-(piperidin-3-ylamino)pyridine-2-carboxylate
CID 83841956
2-(piperidin-3-ylamino)benzamide
CID 63319381

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide (CID 135361379) is 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide is Cc1cnsc1Nc1nc(N[C@@H]2CCCNC2)cnc1C(N)=O.
What is the InChIKey of 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide?
The InChIKey is VKKGFMAMQALUCQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H19N7OS/c1-8-5-18-23-14(8)21-13-11(12(15)22)17-7-10(20-13)19-9-3-2-4-16-6-9/h5,7,9,16H,2-4,6H2,1H3,(H2,15,22)(H2,19,20,21)/t9-/m1/s1.
What are the key properties of 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide?
3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,2-thiazol-5-yl)amino]-5-[[(3R)-piperidin-3-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 135361379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).