2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C6H7ClN2OS — CID 104771577

IUPAC2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(C(Cl)C(N)=O)n1
InChIInChI=1S/C6H7ClN2OS/c1-3-2-11-6(9-3)4(7)5(8)10/h2,4H,1H3,(H2,8,10)
InChIKeySVGGZNRSJIYKPN-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.22
Rot. Bonds2

About 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide

2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 104771577) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID104771577
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(C(Cl)C(N)=O)n1
InChIInChI=1S/C6H7ClN2OS/c1-3-2-11-6(9-3)4(7)5(8)10/h2,4H,1H3,(H2,8,10)
InChIKeySVGGZNRSJIYKPN-UHFFFAOYSA-N
XLogP1.22
TPSA55.98 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde
CID 87686562
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
2-[2-(dimethylamino)ethylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770262
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770676
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 104770778
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 143571852
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 104771577) is 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(C(Cl)C(N)=O)n1.
What is the InChIKey of 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SVGGZNRSJIYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-3-2-11-6(9-3)4(7)5(8)10/h2,4H,1H3,(H2,8,10).
What are the key properties of 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 190.66 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 104771577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).