1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea

C9H8F3N5OS — CID 122131598

IUPAC1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCn1ccc(NC(=O)Nc2ncc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H8F3N5OS/c1-17-3-2-6(16-17)14-7(18)15-8-13-4-5(19-8)9(10,11)12/h2-4H,1H3,(H2,13,14,15,16,18)
InChIKeyMLAJKDQVFKZUQY-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.54
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea

1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 122131598) has the molecular formula C9H8F3N5OS and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID122131598
Molecular FormulaC9H8F3N5OS
Molecular Weight291.26 g/mol
Exact Mass291.04
IUPAC Name1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCn1ccc(NC(=O)Nc2ncc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H8F3N5OS/c1-17-3-2-6(16-17)14-7(18)15-8-13-4-5(19-8)9(10,11)12/h2-4H,1H3,(H2,13,14,15,16,18)
InChIKeyMLAJKDQVFKZUQY-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 122131598) is 1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is Cn1ccc(NC(=O)Nc2ncc(C(F)(F)F)s2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is MLAJKDQVFKZUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS/c1-17-3-2-6(16-17)14-7(18)15-8-13-4-5(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-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-(1-methylpyrazol-3-yl)-3-[5-(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-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 122131598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).