2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide

C17H20ClN3OS — CID 27377986

IUPAC2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide
SMILESO=C(Cc1csc(Nc2cccc(Cl)c2)n1)NC1CCCCC1
InChIInChI=1S/C17H20ClN3OS/c18-12-5-4-8-14(9-12)20-17-21-15(11-23-17)10-16(22)19-13-6-2-1-3-7-13/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,19,22)(H,20,21)
InChIKeyWKPJZNDIHKSAGY-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.53
Rot. Bonds5

About 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide

2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide (PubChem CID 27377986) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide
PubChem CID27377986
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide
SMILESO=C(Cc1csc(Nc2cccc(Cl)c2)n1)NC1CCCCC1
InChIInChI=1S/C17H20ClN3OS/c18-12-5-4-8-14(9-12)20-17-21-15(11-23-17)10-16(22)19-13-6-2-1-3-7-13/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,19,22)(H,20,21)
InChIKeyWKPJZNDIHKSAGY-UHFFFAOYSA-N
XLogP4.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide (CID 27377986) is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide is O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NC1CCCCC1.
What is the InChIKey of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide?
The InChIKey is WKPJZNDIHKSAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-12-5-4-8-14(9-12)20-17-21-15(11-23-17)10-16(22)19-13-6-2-1-3-7-13/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,19,22)(H,20,21).
What are the key properties of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide?
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide has a molecular weight of 349.89 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 27377986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).