1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea

C7H8F3N3OS — CID 108866010

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea
SMILESCc1nc(NC(=O)NC(F)(F)F)sc1C
InChIInChI=1S/C7H8F3N3OS/c1-3-4(2)15-6(11-3)12-5(14)13-7(8,9)10/h1-2H3,(H2,11,12,13,14)
InChIKeyCYQQZQHUQZYSOY-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.40
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea (PubChem CID 108866010) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea
PubChem CID108866010
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea
SMILESCc1nc(NC(=O)NC(F)(F)F)sc1C
InChIInChI=1S/C7H8F3N3OS/c1-3-4(2)15-6(11-3)12-5(14)13-7(8,9)10/h1-2H3,(H2,11,12,13,14)
InChIKeyCYQQZQHUQZYSOY-UHFFFAOYSA-N
XLogP2.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4,5-dimethyl-1,3-thiazole
CID 73238
2-Amino-4,5-dimethylthiazole hydrobromide
CID 73237
4,5-Dimethyl-1,3-thiazol-2-amine--hydrogen chloride (1/1)
CID 16211387
5-Methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53418534
4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 72214384
N,4,5-trimethyl-1,3-thiazol-2-amine
CID 17763823
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-isopropylurea
CID 16654058
N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710711
N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710713
N-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 21801148
N,N,5-trimethyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 70658294
5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-amine
CID 84762940

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea (CID 108866010) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea is Cc1nc(NC(=O)NC(F)(F)F)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea?
The InChIKey is CYQQZQHUQZYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-3-4(2)15-6(11-3)12-5(14)13-7(8,9)10/h1-2H3,(H2,11,12,13,14).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea has a molecular weight of 239.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea is sourced from PubChem (CID 108866010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).