N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide

C9H12N2O2S — CID 65416516

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C9H12N2O2S/c1-6(12)3-4-8(13)11-9-10-5-7(2)14-9/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeySBOAAGKOMOPDFQ-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.76
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide

N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide (PubChem CID 65416516) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
PubChem CID65416516
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C9H12N2O2S/c1-6(12)3-4-8(13)11-9-10-5-7(2)14-9/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeySBOAAGKOMOPDFQ-UHFFFAOYSA-N
XLogP1.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide
CID 18155112
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide
CID 166887692
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47366040
3-(4-ethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47378490
2-(2-hydroxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 78990794
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16622526
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide (CID 65416516) is N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide is CC(=O)CCC(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide?
The InChIKey is SBOAAGKOMOPDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-6(12)3-4-8(13)11-9-10-5-7(2)14-9/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide has a molecular weight of 212.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide is sourced from PubChem (CID 65416516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).