3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide

C13H23N3OS — CID 64556483

IUPAC3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide
SMILESCCCNC(C)c1csc(NC(=O)CC(C)C)n1
InChIInChI=1S/C13H23N3OS/c1-5-6-14-10(4)11-8-18-13(15-11)16-12(17)7-9(2)3/h8-10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyMZMAARXABGQFTK-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.19
Rot. Bonds7

About 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide

3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 64556483) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide
PubChem CID64556483
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide
SMILESCCCNC(C)c1csc(NC(=O)CC(C)C)n1
InChIInChI=1S/C13H23N3OS/c1-5-6-14-10(4)11-8-18-13(15-11)16-12(17)7-9(2)3/h8-10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyMZMAARXABGQFTK-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64558074
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64557871
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 64557469
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-propoxypropanamide
CID 64556081
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 64557479
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 64557088
3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64557080
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 64555885
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 64556677

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide (CID 64556483) is 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide is CCCNC(C)c1csc(NC(=O)CC(C)C)n1.
What is the InChIKey of 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is MZMAARXABGQFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-6-14-10(4)11-8-18-13(15-11)16-12(17)7-9(2)3/h8-10,14H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide?
3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 269.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 64556483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).