4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide

C11H18N2O2S — CID 60664920

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide
SMILESCCCNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C11H18N2O2S/c1-3-6-12-10(14)5-4-7-13-9(2)8-16-11(13)15/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyQTHXXCMEHRYJTH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.52
Rot. Bonds6

About 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide (PubChem CID 60664920) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide
PubChem CID60664920
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide
SMILESCCCNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C11H18N2O2S/c1-3-6-12-10(14)5-4-7-13-9(2)8-16-11(13)15/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyQTHXXCMEHRYJTH-UHFFFAOYSA-N
XLogP1.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 17396946
N-(3-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 17402743
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-N-propylacetamide
CID 18162789
N-[(2R)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 25401106
N-cyclopentyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162814
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylpropanamide
CID 29198709
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 30482916
2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
CID 31012397
4-Methyl-3-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]-1,3-thiazol-2-one
CID 31096811
N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 31715854
N-methoxy-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 33101559

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide (CID 60664920) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide is CCCNC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide?
The InChIKey is QTHXXCMEHRYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-6-12-10(14)5-4-7-13-9(2)8-16-11(13)15/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide has a molecular weight of 242.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide is sourced from PubChem (CID 60664920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).