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

C9H12ClN3O2S — CID 106041035

IUPAC2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
SMILESCc1nc(CCNC(=O)NC(=O)CCl)cs1
InChIInChI=1S/C9H12ClN3O2S/c1-6-12-7(5-16-6)2-3-11-9(15)13-8(14)4-10/h5H,2-4H2,1H3,(H2,11,13,14,15)
InChIKeyJYNCTPRXKQVUTE-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.06
Rot. Bonds4

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

2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide (PubChem CID 106041035) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
PubChem CID106041035
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
SMILESCc1nc(CCNC(=O)NC(=O)CCl)cs1
InChIInChI=1S/C9H12ClN3O2S/c1-6-12-7(5-16-6)2-3-11-9(15)13-8(14)4-10/h5H,2-4H2,1H3,(H2,11,13,14,15)
InChIKeyJYNCTPRXKQVUTE-UHFFFAOYSA-N
XLogP1.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106035468
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 114139537
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 106038526
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106033629
(2S)-3,3-dimethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 103994731
N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide
CID 49255186
4-hydroxy-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106038221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide (CID 106041035) is 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide is Cc1nc(CCNC(=O)NC(=O)CCl)cs1.
What is the InChIKey of 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide?
The InChIKey is JYNCTPRXKQVUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-6-12-7(5-16-6)2-3-11-9(15)13-8(14)4-10/h5H,2-4H2,1H3,(H2,11,13,14,15).
What are the key properties of 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide?
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide has a molecular weight of 261.73 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide is sourced from PubChem (CID 106041035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).