N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C8H12N2OS — CID 4080718

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C8H12N2OS/c1-4-7(11)10-8-9-5(2)6(3)12-8/h4H2,1-3H3,(H,9,10,11)
InChIKeyGBDXURBGCSDWDQ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.11
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 4080718) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID4080718
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C8H12N2OS/c1-4-7(11)10-8-9-5(2)6(3)12-8/h4H2,1-3H3,(H,9,10,11)
InChIKeyGBDXURBGCSDWDQ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 4080718) is N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is CCC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GBDXURBGCSDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-4-7(11)10-8-9-5(2)6(3)12-8/h4H2,1-3H3,(H,9,10,11).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 184.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4080718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).