N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide

C6H7ClN2OS — CID 70658762

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cnc(Cl)s1
InChIInChI=1S/C6H7ClN2OS/c1-4(10)8-2-5-3-9-6(7)11-5/h3H,2H2,1H3,(H,8,10)
InChIKeyWMLUVHKQMOUXKF-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.43
Rot. Bonds2

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide

N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 70658762) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID70658762
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cnc(Cl)s1
InChIInChI=1S/C6H7ClN2OS/c1-4(10)8-2-5-3-9-6(7)11-5/h3H,2H2,1H3,(H,8,10)
InChIKeyWMLUVHKQMOUXKF-UHFFFAOYSA-N
XLogP1.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide (CID 70658762) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide is CC(=O)NCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is WMLUVHKQMOUXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-4(10)8-2-5-3-9-6(7)11-5/h3H,2H2,1H3,(H,8,10).
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 190.66 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 70658762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).