[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid

C14H12N4O2S — CID 175254870

IUPAC[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid
SMILESCn1cnc(-c2sc(NC(=O)O)nc2-c2ccccc2)c1
InChIInChI=1S/C14H12N4O2S/c1-18-7-10(15-8-18)12-11(9-5-3-2-4-6-9)16-13(21-12)17-14(19)20/h2-8H,1H3,(H,16,17)(H,19,20)
InChIKeyDIOROIMYQANYIU-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.30
Rot. Bonds3

About [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid

[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid (PubChem CID 175254870) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid
PubChem CID175254870
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid
SMILESCn1cnc(-c2sc(NC(=O)O)nc2-c2ccccc2)c1
InChIInChI=1S/C14H12N4O2S/c1-18-7-10(15-8-18)12-11(9-5-3-2-4-6-9)16-13(21-12)17-14(19)20/h2-8H,1H3,(H,16,17)(H,19,20)
InChIKeyDIOROIMYQANYIU-UHFFFAOYSA-N
XLogP3.30
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
CID 174530805
2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 174545041
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 55514296
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 87947426
2,4,5-trimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 75466522
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75470240
N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11580284
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11688036

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid (CID 175254870) is [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid is Cn1cnc(-c2sc(NC(=O)O)nc2-c2ccccc2)c1.
What is the InChIKey of [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is DIOROIMYQANYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-18-7-10(15-8-18)12-11(9-5-3-2-4-6-9)16-13(21-12)17-14(19)20/h2-8H,1H3,(H,16,17)(H,19,20).
What are the key properties of [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid?
[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 300.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 175254870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).