1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

C9H8F3N5OS — CID 166184130

IUPAC1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCn1ccc(NC(=O)Nc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C9H8F3N5OS/c1-17-3-2-6(16-17)14-7(18)15-8-13-5(4-19-8)9(10,11)12/h2-4H,1H3,(H2,13,14,15,16,18)
InChIKeyNGIBFZHCHGCJJF-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.54
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 166184130) has the molecular formula C9H8F3N5OS and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID166184130
Molecular FormulaC9H8F3N5OS
Molecular Weight291.26 g/mol
Exact Mass291.04
IUPAC Name1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCn1ccc(NC(=O)Nc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C9H8F3N5OS/c1-17-3-2-6(16-17)14-7(18)15-8-13-5(4-19-8)9(10,11)12/h2-4H,1H3,(H2,13,14,15,16,18)
InChIKeyNGIBFZHCHGCJJF-UHFFFAOYSA-N
XLogP2.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(Dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71870251
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 71979214
(3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide
CID 92707951
1-(4-Cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea
CID 122150551
4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 126772818
N-(1-methyl-1H-pyrazol-3-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 129607960
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
CID 164638189
[2-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-1,3-thiazol-4-yl]urea
CID 176185191
1-[[2-(Methylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 71857842
N-cyclopropyl-N-[4-[[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75469278
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477549
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477550

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 166184130) is 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is Cn1ccc(NC(=O)Nc2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is NGIBFZHCHGCJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS/c1-17-3-2-6(16-17)14-7(18)15-8-13-5(4-19-8)9(10,11)12/h2-4H,1H3,(H2,13,14,15,16,18).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 291.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 166184130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).