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

C7H10N2O2S — CID 103775054

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-6(10)8-3-5-4-12-7(11)9-5/h4H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKeyKNFHUNULCSYNQR-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.46
Rot. Bonds3

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

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 103775054) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID103775054
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-6(10)8-3-5-4-12-7(11)9-5/h4H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKeyKNFHUNULCSYNQR-UHFFFAOYSA-N
XLogP0.46
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381342
5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
CID 106379556
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
2-(2-hydroxyphenyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775150
2-methyl-4-oxo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-2-propan-2-ylbutanoic acid
CID 106379532
3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382853
N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106381106
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381468
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381324
4,4-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382771

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (CID 103775054) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is CCC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is KNFHUNULCSYNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-6(10)8-3-5-4-12-7(11)9-5/h4H,2-3H2,1H3,(H,8,10)(H,9,11).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 186.24 g/mol, XLogP of 0.46, 3 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]propanamide is sourced from PubChem (CID 103775054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).