N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide

C7H12N2OS — CID 19991408

IUPACN-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide
SMILESCCNC(=O)N1C=CC(C)S1
InChIInChI=1S/C7H12N2OS/c1-3-8-7(10)9-5-4-6(2)11-9/h4-6H,3H2,1-2H3,(H,8,10)
InChIKeyYUECIQJRGYCIAY-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.58
Rot. Bonds1

About N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide

N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide (PubChem CID 19991408) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide
PubChem CID19991408
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide
SMILESCCNC(=O)N1C=CC(C)S1
InChIInChI=1S/C7H12N2OS/c1-3-8-7(10)9-5-4-6(2)11-9/h4-6H,3H2,1-2H3,(H,8,10)
InChIKeyYUECIQJRGYCIAY-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide (CID 19991408) is N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide is CCNC(=O)N1C=CC(C)S1.
What is the InChIKey of N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide?
The InChIKey is YUECIQJRGYCIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-8-7(10)9-5-4-6(2)11-9/h4-6H,3H2,1-2H3,(H,8,10).
What are the key properties of N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide?
N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide has a molecular weight of 172.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-5H-1,2-thiazole-2-carboxamide is sourced from PubChem (CID 19991408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).