1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea

C16H16F3N3O2S — CID 178134834

IUPAC1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea
SMILESC[C@H](NC(=O)Nc1csc(-c2ccc(OC(F)(F)F)cc2)n1)C1CC1
InChIInChI=1S/C16H16F3N3O2S/c1-9(10-2-3-10)20-15(23)22-13-8-25-14(21-13)11-4-6-12(7-5-11)24-16(17,18)19/h4-10H,2-3H2,1H3,(H2,20,22,23)/t9-/m0/s1
InChIKeySENMYNXGFLDMEL-VIFPVBQESA-N
MW371.38 g/mol
LogP4.63
Rot. Bonds5

About 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea

1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea (PubChem CID 178134834) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea
PubChem CID178134834
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC Name1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea
SMILESC[C@H](NC(=O)Nc1csc(-c2ccc(OC(F)(F)F)cc2)n1)C1CC1
InChIInChI=1S/C16H16F3N3O2S/c1-9(10-2-3-10)20-15(23)22-13-8-25-14(21-13)11-4-6-12(7-5-11)24-16(17,18)19/h4-10H,2-3H2,1H3,(H2,20,22,23)/t9-/m0/s1
InChIKeySENMYNXGFLDMEL-VIFPVBQESA-N
XLogP4.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea (CID 178134834) is 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea is C[C@H](NC(=O)Nc1csc(-c2ccc(OC(F)(F)F)cc2)n1)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea?
The InChIKey is SENMYNXGFLDMEL-VIFPVBQESA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c1-9(10-2-3-10)20-15(23)22-13-8-25-14(21-13)11-4-6-12(7-5-11)24-16(17,18)19/h4-10H,2-3H2,1H3,(H2,20,22,23)/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea?
1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea has a molecular weight of 371.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]urea is sourced from PubChem (CID 178134834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).