2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C10H17N3O2S — CID 42769830

IUPAC2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCCNCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C10H17N3O2S/c1-8-7-16-10(12-8)13-9(14)6-11-4-3-5-15-2/h7,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyIARDGGNQKHYPFL-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.02
Rot. Bonds7

About 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 42769830) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID42769830
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCCNCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C10H17N3O2S/c1-8-7-16-10(12-8)13-9(14)6-11-4-3-5-15-2/h7,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyIARDGGNQKHYPFL-UHFFFAOYSA-N
XLogP1.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4088039
2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43037447
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119735206
2-(2-methoxyethylamino)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119711421
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
2-(2-methoxyethylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]acetamide;hydrochloride
CID 119759369
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
4-ethyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4062814
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119711335
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091955

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 42769830) is 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COCCCNCC(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IARDGGNQKHYPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-7-16-10(12-8)13-9(14)6-11-4-3-5-15-2/h7,11H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 243.33 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42769830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).