4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide

C16H19N7OS — CID 5329333

IUPAC4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1
InChIInChI=1S/C16H19N7OS/c1-18-16(24)23-6-4-22(5-7-23)11-12-2-3-19-14(8-12)21-15-20-10-13(9-17)25-15/h2-3,8,10H,4-7,11H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyNIQLDGOLJPELPM-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.61
Rot. Bonds4

About 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide

4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide (PubChem CID 5329333) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide
PubChem CID5329333
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1
InChIInChI=1S/C16H19N7OS/c1-18-16(24)23-6-4-22(5-7-23)11-12-2-3-19-14(8-12)21-15-20-10-13(9-17)25-15/h2-3,8,10H,4-7,11H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyNIQLDGOLJPELPM-UHFFFAOYSA-N
XLogP1.61
TPSA97.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide (CID 5329333) is 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1.
What is the InChIKey of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is NIQLDGOLJPELPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-18-16(24)23-6-4-22(5-7-23)11-12-2-3-19-14(8-12)21-15-20-10-13(9-17)25-15/h2-3,8,10H,4-7,11H2,1H3,(H,18,24)(H,19,20,21).
What are the key properties of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide?
4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 5329333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).