N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide

C16H21ClN2O2S — CID 119320200

IUPACN-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2Cl)CCOCC1)C1CSCN1
InChIInChI=1S/C16H21ClN2O2S/c17-13-4-2-1-3-12(13)16(5-7-21-8-6-16)10-18-15(20)14-9-22-11-19-14/h1-4,14,19H,5-11H2,(H,18,20)
InChIKeyCVQPUXSIDCECAC-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.17
Rot. Bonds4

About N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119320200) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119320200
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2Cl)CCOCC1)C1CSCN1
InChIInChI=1S/C16H21ClN2O2S/c17-13-4-2-1-3-12(13)16(5-7-21-8-6-16)10-18-15(20)14-9-22-11-19-14/h1-4,14,19H,5-11H2,(H,18,20)
InChIKeyCVQPUXSIDCECAC-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide 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

(2S)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348749
(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348750
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119320203
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119302310
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide
CID 154868234
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303951
3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111105530
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]thian-4-amine
CID 119124486
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide (CID 119320200) is N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCC1(c2ccccc2Cl)CCOCC1)C1CSCN1.
What is the InChIKey of N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is CVQPUXSIDCECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c17-13-4-2-1-3-12(13)16(5-7-21-8-6-16)10-18-15(20)14-9-22-11-19-14/h1-4,14,19H,5-11H2,(H,18,20).
What are the key properties of N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 340.88 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119320200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).