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

C9H15N3O2S — CID 106380944

IUPACN-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-2-11-8(13)3-4-10-5-7-6-15-9(14)12-7/h6,10H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyRBPUFEKXSXGOKQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.05
Rot. Bonds6

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

N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 106380944) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID106380944
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-2-11-8(13)3-4-10-5-7-6-15-9(14)12-7/h6,10H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyRBPUFEKXSXGOKQ-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
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
N-(3-amino-2,2-difluoropropyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 120408370
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 133865230
(Z)-2-amino-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylprop-2-enamide
CID 89833770
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
2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
CID 130214752

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (CID 106380944) is N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is CCNC(=O)CCNCc1csc(=O)[nH]1.
What is the InChIKey of N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is RBPUFEKXSXGOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-11-8(13)3-4-10-5-7-6-15-9(14)12-7/h6,10H,2-5H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide 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-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 106380944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).