N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide

C15H17ClN2OS — CID 7518316

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2OS/c1-2-3-14(19)17-9-8-13-10-20-15(18-13)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)
InChIKeyVYBFWKKCWTXCQX-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.92
Rot. Bonds6

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide (PubChem CID 7518316) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide
PubChem CID7518316
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2OS/c1-2-3-14(19)17-9-8-13-10-20-15(18-13)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)
InChIKeyVYBFWKKCWTXCQX-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide (CID 7518316) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide is CCCC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The InChIKey is VYBFWKKCWTXCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-3-14(19)17-9-8-13-10-20-15(18-13)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide has a molecular weight of 308.83 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide is sourced from PubChem (CID 7518316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).