N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide

C12H11ClN2OS — CID 152875297

IUPACN-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)c(C)c2)cs1
InChIInChI=1S/C12H11ClN2OS/c1-7-5-9(3-4-10(7)13)11-6-17-12(15-11)14-8(2)16/h3-6H,1-2H3,(H,14,15,16)
InChIKeyUAHMGIGRYUVVJM-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.73
Rot. Bonds2

About N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide

N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 152875297) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID152875297
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)c(C)c2)cs1
InChIInChI=1S/C12H11ClN2OS/c1-7-5-9(3-4-10(7)13)11-6-17-12(15-11)14-8(2)16/h3-6H,1-2H3,(H,14,15,16)
InChIKeyUAHMGIGRYUVVJM-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 152875297) is N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc(Cl)c(C)c2)cs1.
What is the InChIKey of N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UAHMGIGRYUVVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-7-5-9(3-4-10(7)13)11-6-17-12(15-11)14-8(2)16/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 266.75 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 152875297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).