3-ethyl-2H-1,3-thiazole-4-carboxamide

C6H10N2OS — CID 174764354

IUPAC3-ethyl-2H-1,3-thiazole-4-carboxamide
SMILESCCN1CSC=C1C(N)=O
InChIInChI=1S/C6H10N2OS/c1-2-8-4-10-3-5(8)6(7)9/h3H,2,4H2,1H3,(H2,7,9)
InChIKeyPJBKEXTXJICAOY-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.34
Rot. Bonds2

About 3-ethyl-2H-1,3-thiazole-4-carboxamide

3-ethyl-2H-1,3-thiazole-4-carboxamide (PubChem CID 174764354) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-ethyl-2H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-2H-1,3-thiazole-4-carboxamide
PubChem CID174764354
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-ethyl-2H-1,3-thiazole-4-carboxamide
SMILESCCN1CSC=C1C(N)=O
InChIInChI=1S/C6H10N2OS/c1-2-8-4-10-3-5(8)6(7)9/h3H,2,4H2,1H3,(H2,7,9)
InChIKeyPJBKEXTXJICAOY-UHFFFAOYSA-N
XLogP0.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-1,3-thiazole-4-carboxamide?
The IUPAC name of 3-ethyl-2H-1,3-thiazole-4-carboxamide (CID 174764354) is 3-ethyl-2H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-2H-1,3-thiazole-4-carboxamide?
The canonical SMILES for 3-ethyl-2H-1,3-thiazole-4-carboxamide is CCN1CSC=C1C(N)=O.
What is the InChIKey of 3-ethyl-2H-1,3-thiazole-4-carboxamide?
The InChIKey is PJBKEXTXJICAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-8-4-10-3-5(8)6(7)9/h3H,2,4H2,1H3,(H2,7,9).
What are the key properties of 3-ethyl-2H-1,3-thiazole-4-carboxamide?
3-ethyl-2H-1,3-thiazole-4-carboxamide has a molecular weight of 158.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 174764354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).