2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide

C14H17ClN2OS — CID 151862507

IUPAC2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide
SMILESNC(=O)C1(CC2(c3ccc(Cl)cc3)CC2)NCCS1
InChIInChI=1S/C14H17ClN2OS/c15-11-3-1-10(2-4-11)13(5-6-13)9-14(12(16)18)17-7-8-19-14/h1-4,17H,5-9H2,(H2,16,18)
InChIKeySKZSIRKNMDNLSU-UHFFFAOYSA-N
MW296.82 g/mol
LogP2.28
Rot. Bonds4

About 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide

2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide (PubChem CID 151862507) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide
PubChem CID151862507
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide
SMILESNC(=O)C1(CC2(c3ccc(Cl)cc3)CC2)NCCS1
InChIInChI=1S/C14H17ClN2OS/c15-11-3-1-10(2-4-11)13(5-6-13)9-14(12(16)18)17-7-8-19-14/h1-4,17H,5-9H2,(H2,16,18)
InChIKeySKZSIRKNMDNLSU-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide (CID 151862507) is 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide is NC(=O)C1(CC2(c3ccc(Cl)cc3)CC2)NCCS1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide?
The InChIKey is SKZSIRKNMDNLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c15-11-3-1-10(2-4-11)13(5-6-13)9-14(12(16)18)17-7-8-19-14/h1-4,17H,5-9H2,(H2,16,18).
What are the key properties of 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide?
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide has a molecular weight of 296.82 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 151862507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).