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

C8H12N2OS — CID 131084358

IUPACN-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCNC(=O)c1nc(C)c(C)s1
InChIInChI=1S/C8H12N2OS/c1-4-9-7(11)8-10-5(2)6(3)12-8/h4H2,1-3H3,(H,9,11)
InChIKeyFWOBLFYTRMHBBE-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.51
Rot. Bonds2

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

N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 131084358) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID131084358
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCNC(=O)c1nc(C)c(C)s1
InChIInChI=1S/C8H12N2OS/c1-4-9-7(11)8-10-5(2)6(3)12-8/h4H2,1-3H3,(H,9,11)
InChIKeyFWOBLFYTRMHBBE-UHFFFAOYSA-N
XLogP1.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide (CID 131084358) is N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide is CCNC(=O)c1nc(C)c(C)s1.
What is the InChIKey of N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is FWOBLFYTRMHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-4-9-7(11)8-10-5(2)6(3)12-8/h4H2,1-3H3,(H,9,11).
What are the key properties of N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 131084358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).