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

C7H9ClN2OS — CID 61280250

IUPAC2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)CCl)s1
InChIInChI=1S/C7H9ClN2OS/c1-5-9-3-6(12-5)4-10-7(11)2-8/h3H,2,4H2,1H3,(H,10,11)
InChIKeyFJVQIPDUYIEWJD-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.31
Rot. Bonds3

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

2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 61280250) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID61280250
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)CCl)s1
InChIInChI=1S/C7H9ClN2OS/c1-5-9-3-6(12-5)4-10-7(11)2-8/h3H,2,4H2,1H3,(H,10,11)
InChIKeyFJVQIPDUYIEWJD-UHFFFAOYSA-N
XLogP1.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.31
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

5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280444
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 39855034
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777
4-bromo-N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropyl]benzamide
CID 86825632
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 126988210
1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115604557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 61280250) is 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncc(CNC(=O)CCl)s1.
What is the InChIKey of 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is FJVQIPDUYIEWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-5-9-3-6(12-5)4-10-7(11)2-8/h3H,2,4H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 204.68 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 61280250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).