N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

C8H12N2O2S — CID 103775079

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-2-3-7(11)9-4-6-5-13-8(12)10-6/h5H,2-4H2,1H3,(H,9,11)(H,10,12)
InChIKeyVRGUTHPRGNHQTJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.85
Rot. Bonds4

About N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 103775079) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID103775079
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-2-3-7(11)9-4-6-5-13-8(12)10-6/h5H,2-4H2,1H3,(H,9,11)(H,10,12)
InChIKeyVRGUTHPRGNHQTJ-UHFFFAOYSA-N
XLogP0.85
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106380787
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292
3-methylsulfanyl-N-[2-(3-methylsulfanylpropanoylamino)prop-2-enyl]propanamide
CID 117649954
N-butan-2-yl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123213192
2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide
CID 123679448
N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123883247
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
N-ethyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetamide
CID 18145744
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-N-propylacetamide
CID 18162789
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
CID 27648160
2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
CID 31012397

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 103775079) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is CCCC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is VRGUTHPRGNHQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-3-7(11)9-4-6-5-13-8(12)10-6/h5H,2-4H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 200.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 103775079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).