N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide

C5H5ClN2OS — CID 10374969

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(CCl)cs1
InChIInChI=1S/C5H5ClN2OS/c6-1-4-2-10-5(8-4)7-3-9/h2-3H,1H2,(H,7,8,9)
InChIKeyIAWQHJBMHBLBEN-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.45
Rot. Bonds3

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide (PubChem CID 10374969) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide
PubChem CID10374969
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(CCl)cs1
InChIInChI=1S/C5H5ClN2OS/c6-1-4-2-10-5(8-4)7-3-9/h2-3H,1H2,(H,7,8,9)
InChIKeyIAWQHJBMHBLBEN-UHFFFAOYSA-N
XLogP1.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-4-chloromethylthiazole
CID 81963
2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)
CID 73228
4-Chloromethylthiazol-2-ylamine
CID 73229
methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
CID 14962244
2-Amino-4-(chloromethyl)thiazole hcl
CID 51064152
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1133016
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 14962253
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]formamide
CID 143219890
N-(4-methyl-1,3-thiazol-2-yl)formamide
CID 3717795
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 5163337
2-Propionylamino-4-chloromethylthiazole
CID 10398016
1-Methyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 13329450

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide (CID 10374969) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide is O=CNc1nc(CCl)cs1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide?
The InChIKey is IAWQHJBMHBLBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c6-1-4-2-10-5(8-4)7-3-9/h2-3H,1H2,(H,7,8,9).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide has a molecular weight of 176.63 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 10374969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).