N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide

C9H14N2O2S — CID 115659300

IUPACN-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(C)NC(=O)Cn1ccsc1=O
InChIInChI=1S/C9H14N2O2S/c1-3-7(2)10-8(12)6-11-4-5-14-9(11)13/h4-5,7H,3,6H2,1-2H3,(H,10,12)
InChIKeyDQZPGSWORGAMNF-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.82
Rot. Bonds4

About N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide

N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 115659300) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID115659300
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(C)NC(=O)Cn1ccsc1=O
InChIInChI=1S/C9H14N2O2S/c1-3-7(2)10-8(12)6-11-4-5-14-9(11)13/h4-5,7H,3,6H2,1-2H3,(H,10,12)
InChIKeyDQZPGSWORGAMNF-UHFFFAOYSA-N
XLogP0.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
CID 71979625
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680509
N-butan-2-yl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123213192
(2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide
CID 134569862
2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide
CID 141145133
(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
CID 146957017
N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide
CID 163983529
2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide
CID 173431596
4-(Propan-2-yl)-2-[(propan-2-yl)amino]-2H-1,4-thiazin-3(4H)-one
CID 13117708
n-Isobutyl-2-(4-methyl-2-oxothiazol-3(2h)-yl)acetamide
CID 16381129
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-pentan-3-ylacetamide
CID 16384335
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17461015

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide (CID 115659300) is N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide is CCC(C)NC(=O)Cn1ccsc1=O.
What is the InChIKey of N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is DQZPGSWORGAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-7(2)10-8(12)6-11-4-5-14-9(11)13/h4-5,7H,3,6H2,1-2H3,(H,10,12).
What are the key properties of N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 115659300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).