2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide

C14H18N6OS — CID 99930841

IUPAC2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)cs1
InChIInChI=1S/C14H18N6OS/c1-15-14-19-11(9-22-14)13(21)18-10-3-2-6-20(8-10)12-7-16-4-5-17-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,15,19)(H,18,21)/t10-/m0/s1
InChIKeyPACHOXNGJNCSJR-JTQLQIEISA-N
MW318.41 g/mol
LogP1.37
Rot. Bonds4

About 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide

2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 99930841) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID99930841
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)cs1
InChIInChI=1S/C14H18N6OS/c1-15-14-19-11(9-22-14)13(21)18-10-3-2-6-20(8-10)12-7-16-4-5-17-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,15,19)(H,18,21)/t10-/m0/s1
InChIKeyPACHOXNGJNCSJR-JTQLQIEISA-N
XLogP1.37
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
5-(2-methylpropyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 91838367
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide
CID 98273747
2-(1-methylimidazol-2-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449446
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449447
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650547
3-(4-methoxyphenyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 126442521

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide (CID 99930841) is 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)cs1.
What is the InChIKey of 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PACHOXNGJNCSJR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N6OS/c1-15-14-19-11(9-22-14)13(21)18-10-3-2-6-20(8-10)12-7-16-4-5-17-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,15,19)(H,18,21)/t10-/m0/s1.
What are the key properties of 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide?
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99930841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).