N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide

C17H19N5OS — CID 140538537

IUPACN-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCc1nc(NC(=O)n2ccnc2)sc1C1=CC(C2(C)CC2)NC=C1
InChIInChI=1S/C17H19N5OS/c1-11-14(12-3-6-19-13(9-12)17(2)4-5-17)24-15(20-11)21-16(23)22-8-7-18-10-22/h3,6-10,13,19H,4-5H2,1-2H3,(H,20,21,23)
InChIKeyPOKFCHURQGWIDU-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.40
Rot. Bonds3

About N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 140538537) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID140538537
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCc1nc(NC(=O)n2ccnc2)sc1C1=CC(C2(C)CC2)NC=C1
InChIInChI=1S/C17H19N5OS/c1-11-14(12-3-6-19-13(9-12)17(2)4-5-17)24-15(20-11)21-16(23)22-8-7-18-10-22/h3,6-10,13,19H,4-5H2,1-2H3,(H,20,21,23)
InChIKeyPOKFCHURQGWIDU-UHFFFAOYSA-N
XLogP3.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 140538537) is N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is Cc1nc(NC(=O)n2ccnc2)sc1C1=CC(C2(C)CC2)NC=C1.
What is the InChIKey of N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is POKFCHURQGWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-14(12-3-6-19-13(9-12)17(2)4-5-17)24-15(20-11)21-16(23)22-8-7-18-10-22/h3,6-10,13,19H,4-5H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(1-methylcyclopropyl)-1,2-dihydropyridin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 140538537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).