N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride

C5H5ClN2OS — CID 119090287

IUPACN-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
SMILESCN(C(=O)Cl)c1nccs1
InChIInChI=1S/C5H5ClN2OS/c1-8(4(6)9)5-7-2-3-10-5/h2-3H,1H3
InChIKeyLUHFOHFNXJZUGY-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.94
Rot. Bonds1

About N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride

N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride (PubChem CID 119090287) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
PubChem CID119090287
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
SMILESCN(C(=O)Cl)c1nccs1
InChIInChI=1S/C5H5ClN2OS/c1-8(4(6)9)5-7-2-3-10-5/h2-3H,1H3
InChIKeyLUHFOHFNXJZUGY-UHFFFAOYSA-N
XLogP1.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
CID 110723371
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
2,6-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723339
2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 47182345
2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62818927
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide
CID 46225340
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 95299860
N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 110723376
4-(dimethylsulfamoyl)-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723354
6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 86768422
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
CID 107424767

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride (CID 119090287) is N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride is CN(C(=O)Cl)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride?
The InChIKey is LUHFOHFNXJZUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c1-8(4(6)9)5-7-2-3-10-5/h2-3H,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride?
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride has a molecular weight of 176.63 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride is sourced from PubChem (CID 119090287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).