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

C9H15N3O2S — CID 106381342

IUPAC4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCNCCCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-10-4-2-3-8(13)11-5-7-6-15-9(14)12-7/h6,10H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyVDJDQNLGUIQRQF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.05
Rot. Bonds6

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

4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 106381342) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID106381342
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCNCCCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-10-4-2-3-8(13)11-5-7-6-15-9(14)12-7/h6,10H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyVDJDQNLGUIQRQF-UHFFFAOYSA-N
XLogP0.05
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
CID 106379556
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
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
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
CID 119882244
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897377
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 106382965
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide
CID 119900109
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119878856

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 106381342) is 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is CNCCCC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is VDJDQNLGUIQRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-10-4-2-3-8(13)11-5-7-6-15-9(14)12-7/h6,10H,2-5H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 229.30 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 106381342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).