1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

C8H10F3N3OS — CID 47222582

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1csc(CNC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3OS/c1-5-3-16-6(14-5)2-12-7(15)13-4-8(9,10)11/h3H,2,4H2,1H3,(H2,12,13,15)
InChIKeySTHUMQODMXCKAJ-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.81
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47222582) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID47222582
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1csc(CNC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3OS/c1-5-3-16-6(14-5)2-12-7(15)13-4-8(9,10)11/h3H,2,4H2,1H3,(H2,12,13,15)
InChIKeySTHUMQODMXCKAJ-UHFFFAOYSA-N
XLogP1.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl(((4-(trifluoromethyl)-1,3-thiazol-2-yl)methyl))amine
CID 3353222
1-Cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 47139425
Des(N'-methyl-2-nitro-1,1-ethenediamino) N'-Methylureido Nizatidine
CID 13121954
tert-Butyl N-[[4-(difluoromethyl)thiazol-2-yl]methyl]carbamate
CID 22916716
2,2,2-trifluoro-N-[2-(4-methyl-thiazol-2-yl)-ethyl]-acetamide
CID 39072071
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544979
4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide
CID 123752281
N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]acetamide
CID 133382394
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 156513582
2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 156794408
2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide
CID 166529024
ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 176995472

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 47222582) is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is Cc1csc(CNC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is STHUMQODMXCKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-5-3-16-6(14-5)2-12-7(15)13-4-8(9,10)11/h3H,2,4H2,1H3,(H2,12,13,15).
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47222582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).