2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide

C18H20N6OS — CID 166302452

IUPAC2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncc[nH]2)sc1C(=O)N(C)C1CCN(c2ccncc2)C1
InChIInChI=1S/C18H20N6OS/c1-12-15(26-17(22-12)16-20-8-9-21-16)18(25)23(2)14-5-10-24(11-14)13-3-6-19-7-4-13/h3-4,6-9,14H,5,10-11H2,1-2H3,(H,20,21)
InChIKeyYBTVEKZBDKDMKS-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.59
Rot. Bonds4

About 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide

2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 166302452) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID166302452
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncc[nH]2)sc1C(=O)N(C)C1CCN(c2ccncc2)C1
InChIInChI=1S/C18H20N6OS/c1-12-15(26-17(22-12)16-20-8-9-21-16)18(25)23(2)14-5-10-24(11-14)13-3-6-19-7-4-13/h3-4,6-9,14H,5,10-11H2,1-2H3,(H,20,21)
InChIKeyYBTVEKZBDKDMKS-UHFFFAOYSA-N
XLogP2.59
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide (CID 166302452) is 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncc[nH]2)sc1C(=O)N(C)C1CCN(c2ccncc2)C1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YBTVEKZBDKDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-15(26-17(22-12)16-20-8-9-21-16)18(25)23(2)14-5-10-24(11-14)13-3-6-19-7-4-13/h3-4,6-9,14H,5,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166302452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).