N,5-dimethyl-5H-1,2-thiazole-2-carboxamide

C6H10N2OS — CID 19991344

IUPACN,5-dimethyl-5H-1,2-thiazole-2-carboxamide
SMILESCNC(=O)N1C=CC(C)S1
InChIInChI=1S/C6H10N2OS/c1-5-3-4-8(10-5)6(9)7-2/h3-5H,1-2H3,(H,7,9)
InChIKeyCZRWUMKGLWTCJJ-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.19
Rot. Bonds

About N,5-dimethyl-5H-1,2-thiazole-2-carboxamide

N,5-dimethyl-5H-1,2-thiazole-2-carboxamide (PubChem CID 19991344) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is N,5-dimethyl-5H-1,2-thiazole-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-5H-1,2-thiazole-2-carboxamide
PubChem CID19991344
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC NameN,5-dimethyl-5H-1,2-thiazole-2-carboxamide
SMILESCNC(=O)N1C=CC(C)S1
InChIInChI=1S/C6H10N2OS/c1-5-3-4-8(10-5)6(9)7-2/h3-5H,1-2H3,(H,7,9)
InChIKeyCZRWUMKGLWTCJJ-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.19
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,5-dimethyl-5H-1,2-thiazole-2-carboxamide?
The IUPAC name of N,5-dimethyl-5H-1,2-thiazole-2-carboxamide (CID 19991344) is N,5-dimethyl-5H-1,2-thiazole-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-5H-1,2-thiazole-2-carboxamide?
The canonical SMILES for N,5-dimethyl-5H-1,2-thiazole-2-carboxamide is CNC(=O)N1C=CC(C)S1.
What is the InChIKey of N,5-dimethyl-5H-1,2-thiazole-2-carboxamide?
The InChIKey is CZRWUMKGLWTCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5-3-4-8(10-5)6(9)7-2/h3-5H,1-2H3,(H,7,9).
What are the key properties of N,5-dimethyl-5H-1,2-thiazole-2-carboxamide?
N,5-dimethyl-5H-1,2-thiazole-2-carboxamide has a molecular weight of 158.23 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-5H-1,2-thiazole-2-carboxamide is sourced from PubChem (CID 19991344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).