1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

C15H13ClF3N3OS — CID 78892945

IUPAC1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESC1CC1N(CC2=CC=C(C=C2)Cl)C(=O)NC3=NC(=CS3)C(F)(F)F
InChIInChI=1S/C15H13ClF3N3OS/c16-10-3-1-9(2-4-10)7-22(11-5-6-11)14(23)21-13-20-12(8-24-13)15(17,18)19/h1-4,8,11H,5-7H2,(H,20,21,23)
InChIKeyDMLMNHZNKCYQNR-UHFFFAOYSA-N
MW375.80 g/mol
LogP4.10
Rot. Bonds4

About 1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 78892945) has the molecular formula C15H13ClF3N3OS and a molecular weight of 375.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID78892945
Molecular FormulaC15H13ClF3N3OS
Molecular Weight375.80 g/mol
Exact Mass375.04
IUPAC Name1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESC1CC1N(CC2=CC=C(C=C2)Cl)C(=O)NC3=NC(=CS3)C(F)(F)F
InChIInChI=1S/C15H13ClF3N3OS/c16-10-3-1-9(2-4-10)7-22(11-5-6-11)14(23)21-13-20-12(8-24-13)15(17,18)19/h1-4,8,11H,5-7H2,(H,20,21,23)
InChIKeyDMLMNHZNKCYQNR-UHFFFAOYSA-N
XLogP4.10
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity456

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 78892945) is 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is C1CC1N(CC2=CC=C(C=C2)Cl)C(=O)NC3=NC(=CS3)C(F)(F)F.
What is the InChIKey of 1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is DMLMNHZNKCYQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3OS/c16-10-3-1-9(2-4-10)7-22(11-5-6-11)14(23)21-13-20-12(8-24-13)15(17,18)19/h1-4,8,11H,5-7H2,(H,20,21,23).
What are the key properties of 1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 375.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-Chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 78892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).