(2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate

C14H13ClN2O2S — CID 57379729

IUPAC(2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESNc1nc(COC(=O)C2(c3ccc(Cl)cc3)CC2)cs1
InChIInChI=1S/C14H13ClN2O2S/c15-10-3-1-9(2-4-10)14(5-6-14)12(18)19-7-11-8-20-13(16)17-11/h1-4,8H,5-7H2,(H2,16,17)
InChIKeySVPRPJPTRRYSPV-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.15
Rot. Bonds4

About (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate

(2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 57379729) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID57379729
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name(2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESNc1nc(COC(=O)C2(c3ccc(Cl)cc3)CC2)cs1
InChIInChI=1S/C14H13ClN2O2S/c15-10-3-1-9(2-4-10)14(5-6-14)12(18)19-7-11-8-20-13(16)17-11/h1-4,8H,5-7H2,(H2,16,17)
InChIKeySVPRPJPTRRYSPV-UHFFFAOYSA-N
XLogP3.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 57379729) is (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate is Nc1nc(COC(=O)C2(c3ccc(Cl)cc3)CC2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is SVPRPJPTRRYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-10-3-1-9(2-4-10)14(5-6-14)12(18)19-7-11-8-20-13(16)17-11/h1-4,8H,5-7H2,(H2,16,17).
What are the key properties of (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
(2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 308.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 57379729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).