phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate

C19H17FN2O2S — CID 7518123

IUPACphenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)Oc1ccccc1
InChIInChI=1S/C19H17FN2O2S/c1-13-17(25-18(22-13)14-7-9-15(20)10-8-14)11-12-21-19(23)24-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyMBNQWINDNAGZDQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.59
Rot. Bonds5

About phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate

phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate (PubChem CID 7518123) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate
PubChem CID7518123
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Namephenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)Oc1ccccc1
InChIInChI=1S/C19H17FN2O2S/c1-13-17(25-18(22-13)14-7-9-15(20)10-8-14)11-12-21-19(23)24-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyMBNQWINDNAGZDQ-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate 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 phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate (CID 7518123) is phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate is Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate?
The InChIKey is MBNQWINDNAGZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-13-17(25-18(22-13)14-7-9-15(20)10-8-14)11-12-21-19(23)24-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate?
phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 7518123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).