N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C15H24N2OS — CID 110388612

IUPACN-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)CCNC(=O)CCc1nc2c(s1)CCCC2
InChIInChI=1S/C15H24N2OS/c1-11(2)9-10-16-14(18)7-8-15-17-12-5-3-4-6-13(12)19-15/h11H,3-10H2,1-2H3,(H,16,18)
InChIKeyWWWSLVLUQDZNOV-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.12
Rot. Bonds6

About N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 110388612) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID110388612
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)CCNC(=O)CCc1nc2c(s1)CCCC2
InChIInChI=1S/C15H24N2OS/c1-11(2)9-10-16-14(18)7-8-15-17-12-5-3-4-6-13(12)19-15/h11H,3-10H2,1-2H3,(H,16,18)
InChIKeyWWWSLVLUQDZNOV-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388540
N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388550
3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butan-1-amine
CID 94270126
2-methyl-1-(3-methylbutyl)-3-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]guanidine;hydroiodide
CID 110978924
5-oxo-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylamino]pentanoic acid
CID 110442636
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
3-oxo-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]butanamide
CID 110460663
N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388591
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131948396
3-(1-methylpyrrol-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 122572772
N-cyclopentyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388544
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 110388612) is N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is CC(C)CCNC(=O)CCc1nc2c(s1)CCCC2.
What is the InChIKey of N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is WWWSLVLUQDZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)9-10-16-14(18)7-8-15-17-12-5-3-4-6-13(12)19-15/h11H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 280.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 110388612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).