N,2-diethyl-1,3-thiazole-5-carboxamide

C8H12N2OS — CID 21050643

IUPACN,2-diethyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(CC)s1
InChIInChI=1S/C8H12N2OS/c1-3-7-10-5-6(12-7)8(11)9-4-2/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyWMHGKOIPMNOEMP-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.46
Rot. Bonds3

About N,2-diethyl-1,3-thiazole-5-carboxamide

N,2-diethyl-1,3-thiazole-5-carboxamide (PubChem CID 21050643) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N,2-diethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-diethyl-1,3-thiazole-5-carboxamide
PubChem CID21050643
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN,2-diethyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(CC)s1
InChIInChI=1S/C8H12N2OS/c1-3-7-10-5-6(12-7)8(11)9-4-2/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyWMHGKOIPMNOEMP-UHFFFAOYSA-N
XLogP1.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-diethyl-1,3-thiazole-5-carboxamide (CID 21050643) is N,2-diethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-diethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-diethyl-1,3-thiazole-5-carboxamide is CCNC(=O)c1cnc(CC)s1.
What is the InChIKey of N,2-diethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WMHGKOIPMNOEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-7-10-5-6(12-7)8(11)9-4-2/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of N,2-diethyl-1,3-thiazole-5-carboxamide?
N,2-diethyl-1,3-thiazole-5-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21050643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).