N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C14H12N4OS — CID 131951100

IUPACN-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C14H12N4OS/c1-9-13(20-8-17-9)14(19)18-11-4-2-3-10(5-11)12-6-15-7-16-12/h2-8H,1H3,(H,15,16)(H,18,19)
InChIKeyUJVYNJJVFAYBRA-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.09
Rot. Bonds3

About N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 131951100) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID131951100
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C14H12N4OS/c1-9-13(20-8-17-9)14(19)18-11-4-2-3-10(5-11)12-6-15-7-16-12/h2-8H,1H3,(H,15,16)(H,18,19)
InChIKeyUJVYNJJVFAYBRA-UHFFFAOYSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-imidazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 110668555
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 43601937
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
N-[3-(1H-imidazol-5-yl)phenyl]-1H-indole-7-carboxamide
CID 131921284
N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804690
N-[3-(1H-imidazol-5-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 110668610
1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131926620
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-[3-(1H-imidazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 110668512

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 131951100) is N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UJVYNJJVFAYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-13(20-8-17-9)14(19)18-11-4-2-3-10(5-11)12-6-15-7-16-12/h2-8H,1H3,(H,15,16)(H,18,19).
What are the key properties of N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131951100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).