N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide

C14H18ClN3OS — CID 5171375

IUPACN-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)C/N=C1\SCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3OS/c1-10(2)9-16-14-18(6-7-20-14)13(19)17-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19)/b16-14-
InChIKeyRMPAROMIRRWGHI-PEZBUJJGSA-N
MW311.84 g/mol
LogP3.93
Rot. Bonds3

About N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide

N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide (PubChem CID 5171375) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide
PubChem CID5171375
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)C/N=C1\SCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3OS/c1-10(2)9-16-14-18(6-7-20-14)13(19)17-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19)/b16-14-
InChIKeyRMPAROMIRRWGHI-PEZBUJJGSA-N
XLogP3.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide
CID 3707888
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide
CID 110746926
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17487300
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide (CID 5171375) is N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide is CC(C)C/N=C1\SCCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide?
The InChIKey is RMPAROMIRRWGHI-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-10(2)9-16-14-18(6-7-20-14)13(19)17-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19)/b16-14-.
What are the key properties of N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide?
N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide has a molecular weight of 311.84 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 5171375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).