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

C17H21N7OS — CID 5329336

IUPAC4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2C)CC1
InChIInChI=1S/C17H21N7OS/c1-12-13(11-23-5-7-24(8-6-23)17(25)19-2)3-4-20-15(12)22-16-21-10-14(9-18)26-16/h3-4,10H,5-8,11H2,1-2H3,(H,19,25)(H,20,21,22)
InChIKeyWVBVFBWFVVPNPZ-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.92
Rot. Bonds4

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

4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide (PubChem CID 5329336) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide
PubChem CID5329336
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2C)CC1
InChIInChI=1S/C17H21N7OS/c1-12-13(11-23-5-7-24(8-6-23)17(25)19-2)3-4-20-15(12)22-16-21-10-14(9-18)26-16/h3-4,10H,5-8,11H2,1-2H3,(H,19,25)(H,20,21,22)
InChIKeyWVBVFBWFVVPNPZ-UHFFFAOYSA-N
XLogP1.92
TPSA97.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.92
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]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide (CID 5329336) is 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2C)CC1.
What is the InChIKey of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is WVBVFBWFVVPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-12-13(11-23-5-7-24(8-6-23)17(25)19-2)3-4-20-15(12)22-16-21-10-14(9-18)26-16/h3-4,10H,5-8,11H2,1-2H3,(H,19,25)(H,20,21,22).
What are the key properties of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide?
4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.92, 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]-3-methyl-4-pyridinyl]methyl]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 5329336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).