3-chloro-N-ethyl-1,2-thiazole-5-carboxamide

C6H7ClN2OS — CID 127003282

IUPAC3-chloro-N-ethyl-1,2-thiazole-5-carboxamide
SMILESCCNC(=O)c1cc(Cl)ns1
InChIInChI=1S/C6H7ClN2OS/c1-2-8-6(10)4-3-5(7)9-11-4/h3H,2H2,1H3,(H,8,10)
InChIKeyJEQLRAFCBXHHKZ-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.55
Rot. Bonds2

About 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide

3-chloro-N-ethyl-1,2-thiazole-5-carboxamide (PubChem CID 127003282) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-1,2-thiazole-5-carboxamide
PubChem CID127003282
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name3-chloro-N-ethyl-1,2-thiazole-5-carboxamide
SMILESCCNC(=O)c1cc(Cl)ns1
InChIInChI=1S/C6H7ClN2OS/c1-2-8-6(10)4-3-5(7)9-11-4/h3H,2H2,1H3,(H,8,10)
InChIKeyJEQLRAFCBXHHKZ-UHFFFAOYSA-N
XLogP1.55
TPSA41.99 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide (CID 127003282) is 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide is CCNC(=O)c1cc(Cl)ns1.
What is the InChIKey of 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide?
The InChIKey is JEQLRAFCBXHHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-2-8-6(10)4-3-5(7)9-11-4/h3H,2H2,1H3,(H,8,10).
What are the key properties of 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide?
3-chloro-N-ethyl-1,2-thiazole-5-carboxamide has a molecular weight of 190.66 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 127003282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).