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

C9H15N3O2S — CID 106380694

IUPACN-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide
SMILESCNC(=O)CCCNCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-10-8(13)3-2-4-11-5-7-6-15-9(14)12-7/h6,11H,2-5H2,1H3,(H,10,13)(H,12,14)
InChIKeySEGMULBCPUWZQQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.05
Rot. Bonds6

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

N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide (PubChem CID 106380694) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide.

Molecular Properties

Compound NameN-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide
PubChem CID106380694
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide
SMILESCNC(=O)CCCNCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-10-8(13)3-2-4-11-5-7-6-15-9(14)12-7/h6,11H,2-5H2,1H3,(H,10,13)(H,12,14)
InChIKeySEGMULBCPUWZQQ-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

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
3-methylsulfanyl-N-[2-(3-methylsulfanylpropanoylamino)prop-2-enyl]propanamide
CID 117649954
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
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 30482916
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-cyclopropyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 34844484
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39467035
4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43091146

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide?
The IUPAC name of N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide (CID 106380694) is N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide.
What is the SMILES notation for N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide?
The canonical SMILES for N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide is CNC(=O)CCCNCc1csc(=O)[nH]1.
What is the InChIKey of N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide?
The InChIKey is SEGMULBCPUWZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-10-8(13)3-2-4-11-5-7-6-15-9(14)12-7/h6,11H,2-5H2,1H3,(H,10,13)(H,12,14).
What are the key properties of N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide?
N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]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 N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide is sourced from PubChem (CID 106380694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).