1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea

C10H11F2N5OS — CID 167960071

IUPAC1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea
SMILESCn1cc(NC(=O)NCc2cncs2)c(C(F)F)n1
InChIInChI=1S/C10H11F2N5OS/c1-17-4-7(8(16-17)9(11)12)15-10(18)14-3-6-2-13-5-19-6/h2,4-5,9H,3H2,1H3,(H2,14,15,18)
InChIKeyCUJRMTNNRYJJGC-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.14
Rot. Bonds4

About 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea

1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea (PubChem CID 167960071) has the molecular formula C10H11F2N5OS and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea
PubChem CID167960071
Molecular FormulaC10H11F2N5OS
Molecular Weight287.30 g/mol
Exact Mass287.07
IUPAC Name1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea
SMILESCn1cc(NC(=O)NCc2cncs2)c(C(F)F)n1
InChIInChI=1S/C10H11F2N5OS/c1-17-4-7(8(16-17)9(11)12)15-10(18)14-3-6-2-13-5-19-6/h2,4-5,9H,3H2,1H3,(H2,14,15,18)
InChIKeyCUJRMTNNRYJJGC-UHFFFAOYSA-N
XLogP2.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-Methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71870216
1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 75405901
N-(1-methyl-1H-pyrazol-4-yl)-N'-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 118791109
1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea
CID 136555035
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 137998353
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 164636544
3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]urea
CID 72117634
2,2,2-trifluoro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]acetamide
CID 126719887
tert-butyl N-[1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 176658808
1-(1,3-Thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658928
1-[[2-(Methylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 71857842
1-[2-(5-Methyl-1,3-thiazol-2-yl)propan-2-yl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 71860761

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea?
The IUPAC name of 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea (CID 167960071) is 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea?
The canonical SMILES for 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea is Cn1cc(NC(=O)NCc2cncs2)c(C(F)F)n1.
What is the InChIKey of 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea?
The InChIKey is CUJRMTNNRYJJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5OS/c1-17-4-7(8(16-17)9(11)12)15-10(18)14-3-6-2-13-5-19-6/h2,4-5,9H,3H2,1H3,(H2,14,15,18).
What are the key properties of 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea?
1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea has a molecular weight of 287.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(1,3-thiazol-5-ylmethyl)urea is sourced from PubChem (CID 167960071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).