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

C17H21N7OS — CID 5329332

IUPAC4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1
InChIInChI=1S/C17H21N7OS/c1-22(2)17(25)24-7-5-23(6-8-24)12-13-3-4-19-15(9-13)21-16-20-11-14(10-18)26-16/h3-4,9,11H,5-8,12H2,1-2H3,(H,19,20,21)
InChIKeyAPCZORVVDYPETN-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.95
Rot. Bonds4

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

4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 5329332) 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]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID5329332
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1
InChIInChI=1S/C17H21N7OS/c1-22(2)17(25)24-7-5-23(6-8-24)12-13-3-4-19-15(9-13)21-16-20-11-14(10-18)26-16/h3-4,9,11H,5-8,12H2,1-2H3,(H,19,20,21)
InChIKeyAPCZORVVDYPETN-UHFFFAOYSA-N
XLogP1.95
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
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,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 5329332) is 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=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,N-dimethylpiperazine-1-carboxamide?
The InChIKey is APCZORVVDYPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-22(2)17(25)24-7-5-23(6-8-24)12-13-3-4-19-15(9-13)21-16-20-11-14(10-18)26-16/h3-4,9,11H,5-8,12H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 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,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 5329332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).