N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide

C16H23ClN2OS — CID 91086039

IUPACN-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)C1CCSN1CC(C)C
InChIInChI=1S/C16H23ClN2OS/c1-11(2)10-19-15(7-8-21-19)16(20)18-9-13-5-4-6-14(17)12(13)3/h4-6,11,15H,7-10H2,1-3H3,(H,18,20)
InChIKeyMPSSLIWRJPORHH-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.64
Rot. Bonds5

About N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide

N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide (PubChem CID 91086039) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide
PubChem CID91086039
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)C1CCSN1CC(C)C
InChIInChI=1S/C16H23ClN2OS/c1-11(2)10-19-15(7-8-21-19)16(20)18-9-13-5-4-6-14(17)12(13)3/h4-6,11,15H,7-10H2,1-3H3,(H,18,20)
InChIKeyMPSSLIWRJPORHH-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-ylthiazinane-3-carboxamide
CID 71450798
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 42641248
(3-chloro-2-methylphenyl)methylurea
CID 118069885
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
N-[(2,3-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303311
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131432
N-[(3-chloro-2-methylphenyl)methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508536

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide (CID 91086039) is N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide is Cc1c(Cl)cccc1CNC(=O)C1CCSN1CC(C)C.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide?
The InChIKey is MPSSLIWRJPORHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-11(2)10-19-15(7-8-21-19)16(20)18-9-13-5-4-6-14(17)12(13)3/h4-6,11,15H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide?
N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide has a molecular weight of 326.89 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 91086039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).