1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea

C19H16FN3OS — CID 25024191

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)NC1CC1c1ccccc1
InChIInChI=1S/C19H16FN3OS/c20-14-8-6-13(7-9-14)17-11-25-19(22-17)23-18(24)21-16-10-15(16)12-4-2-1-3-5-12/h1-9,11,15-16H,10H2,(H2,21,22,23,24)
InChIKeyIOBDYQNYKGPXDW-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.63
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea (PubChem CID 25024191) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea
PubChem CID25024191
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)NC1CC1c1ccccc1
InChIInChI=1S/C19H16FN3OS/c20-14-8-6-13(7-9-14)17-11-25-19(22-17)23-18(24)21-16-10-15(16)12-4-2-1-3-5-12/h1-9,11,15-16H,10H2,(H2,21,22,23,24)
InChIKeyIOBDYQNYKGPXDW-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea (CID 25024191) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea is O=C(Nc1nc(-c2ccc(F)cc2)cs1)NC1CC1c1ccccc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea?
The InChIKey is IOBDYQNYKGPXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c20-14-8-6-13(7-9-14)17-11-25-19(22-17)23-18(24)21-16-10-15(16)12-4-2-1-3-5-12/h1-9,11,15-16H,10H2,(H2,21,22,23,24).
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea has a molecular weight of 353.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 25024191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).