(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate

C16H17NO2S — CID 78760120

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate
SMILESO=C(OCc1cnc(-c2ccccc2)s1)C1CCCC1
InChIInChI=1S/C16H17NO2S/c18-16(13-8-4-5-9-13)19-11-14-10-17-15(20-14)12-6-2-1-3-7-12/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyDSEFOVJEQVRNQK-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.04
Rot. Bonds4

About (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate

(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate (PubChem CID 78760120) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate
PubChem CID78760120
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate
SMILESO=C(OCc1cnc(-c2ccccc2)s1)C1CCCC1
InChIInChI=1S/C16H17NO2S/c18-16(13-8-4-5-9-13)19-11-14-10-17-15(20-14)12-6-2-1-3-7-12/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyDSEFOVJEQVRNQK-UHFFFAOYSA-N
XLogP4.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate
CID 97157485
(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate
CID 78765064
(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78827542
(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate
CID 154750246
(2-phenyl-1,3-thiazol-5-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760384
1,3-thiazol-5-ylmethyl cyclohexanecarboxylate
CID 1488972
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamido-4-methylbenzoate
CID 86826393
cis-benzyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 69436465
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4787088
(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate
CID 2547440

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate (CID 78760120) is (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate is O=C(OCc1cnc(-c2ccccc2)s1)C1CCCC1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate?
The InChIKey is DSEFOVJEQVRNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(13-8-4-5-9-13)19-11-14-10-17-15(20-14)12-6-2-1-3-7-12/h1-3,6-7,10,13H,4-5,8-9,11H2.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate?
(2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate has a molecular weight of 287.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl cyclopentanecarboxylate is sourced from PubChem (CID 78760120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).