N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide

C6H10N2OS — CID 90126407

IUPACN,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCNC(=O)C1CSC(C)=N1
InChIInChI=1S/C6H10N2OS/c1-4-8-5(3-10-4)6(9)7-2/h5H,3H2,1-2H3,(H,7,9)
InChIKeyBCFOGCKKZHUDOU-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.27
Rot. Bonds1

About N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide

N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 90126407) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID90126407
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC NameN,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCNC(=O)C1CSC(C)=N1
InChIInChI=1S/C6H10N2OS/c1-4-8-5(3-10-4)6(9)7-2/h5H,3H2,1-2H3,(H,7,9)
InChIKeyBCFOGCKKZHUDOU-UHFFFAOYSA-N
XLogP0.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 90126407) is N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide is CNC(=O)C1CSC(C)=N1.
What is the InChIKey of N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is BCFOGCKKZHUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4-8-5(3-10-4)6(9)7-2/h5H,3H2,1-2H3,(H,7,9).
What are the key properties of N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 158.23 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90126407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).