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

C12H9F3N2O2S — CID 90912923

IUPAC[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid
SMILESCc1csc(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1
InChIInChI=1S/C12H9F3N2O2S/c1-6-5-20-10(16-6)8-3-2-7(12(13,14)15)4-9(8)17-11(18)19/h2-5,17H,1H3,(H,18,19)
InChIKeyPFNZAELXDCADEO-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.23
Rot. Bonds2

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

[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 90912923) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid
PubChem CID90912923
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid
SMILESCc1csc(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1
InChIInChI=1S/C12H9F3N2O2S/c1-6-5-20-10(16-6)8-3-2-7(12(13,14)15)4-9(8)17-11(18)19/h2-5,17H,1H3,(H,18,19)
InChIKeyPFNZAELXDCADEO-UHFFFAOYSA-N
XLogP4.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid
CID 91169911
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2079495
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
CID 141484585
3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110388516
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid
CID 175246977
ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422462
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092061
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 34673257
2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 59022942

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid (CID 90912923) is [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid is Cc1csc(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1.
What is the InChIKey of [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is PFNZAELXDCADEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c1-6-5-20-10(16-6)8-3-2-7(12(13,14)15)4-9(8)17-11(18)19/h2-5,17H,1H3,(H,18,19).
What are the key properties of [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid?
[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 302.28 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 90912923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).