N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide

C17H18N4OS — CID 71847062

IUPACN-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)Nc2ccccc2-c2ncc(C)[nH]2)s1
InChIInChI=1S/C17H18N4OS/c1-3-6-15-18-10-14(23-15)17(22)21-13-8-5-4-7-12(13)16-19-9-11(2)20-16/h4-5,7-10H,3,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXFWWWYGABFIIDH-UHFFFAOYSA-N
MW326.43 g/mol
LogP4.05
Rot. Bonds5

About N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide

N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 71847062) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID71847062
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)Nc2ccccc2-c2ncc(C)[nH]2)s1
InChIInChI=1S/C17H18N4OS/c1-3-6-15-18-10-14(23-15)17(22)21-13-8-5-4-7-12(13)16-19-9-11(2)20-16/h4-5,7-10H,3,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXFWWWYGABFIIDH-UHFFFAOYSA-N
XLogP4.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide (CID 71847062) is N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)Nc2ccccc2-c2ncc(C)[nH]2)s1.
What is the InChIKey of N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is XFWWWYGABFIIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-6-15-18-10-14(23-15)17(22)21-13-8-5-4-7-12(13)16-19-9-11(2)20-16/h4-5,7-10H,3,6H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide?
N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71847062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).