2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C14H10ClN3OS3 — CID 3154278

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1nccs1
InChIInChI=1S/C14H10ClN3OS3/c15-10-3-1-9(2-4-10)11-7-21-14(17-11)22-8-12(19)18-13-16-5-6-20-13/h1-7H,8H2,(H,16,18,19)
InChIKeyIQYCQIQQRSQTOF-UHFFFAOYSA-N
MW367.91 g/mol
LogP4.65
Rot. Bonds5

About 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3154278) has the molecular formula C14H10ClN3OS3 and a molecular weight of 367.91 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3154278
Molecular FormulaC14H10ClN3OS3
Molecular Weight367.91 g/mol
Exact Mass366.97
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1nccs1
InChIInChI=1S/C14H10ClN3OS3/c15-10-3-1-9(2-4-10)11-7-21-14(17-11)22-8-12(19)18-13-16-5-6-20-13/h1-7H,8H2,(H,16,18,19)
InChIKeyIQYCQIQQRSQTOF-UHFFFAOYSA-N
XLogP4.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.91
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide 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-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3154278) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1nccs1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IQYCQIQQRSQTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS3/c15-10-3-1-9(2-4-10)11-7-21-14(17-11)22-8-12(19)18-13-16-5-6-20-13/h1-7H,8H2,(H,16,18,19).
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 367.91 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3154278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).