N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide

C15H25N3OS — CID 160641227

IUPACN-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc2c(s1)C[C@@H](N(C)CCC)CC2
InChIInChI=1S/C15H25N3OS/c1-4-6-14(19)17-15-16-12-8-7-11(10-13(12)20-15)18(3)9-5-2/h11H,4-10H2,1-3H3,(H,16,17,19)/t11-/m0/s1
InChIKeyRJEVZSGJSSGFRM-NSHDSACASA-N
MW295.45 g/mol
LogP3.08
Rot. Bonds6

About N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide

N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide (PubChem CID 160641227) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
PubChem CID160641227
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc2c(s1)C[C@@H](N(C)CCC)CC2
InChIInChI=1S/C15H25N3OS/c1-4-6-14(19)17-15-16-12-8-7-11(10-13(12)20-15)18(3)9-5-2/h11H,4-10H2,1-3H3,(H,16,17,19)/t11-/m0/s1
InChIKeyRJEVZSGJSSGFRM-NSHDSACASA-N
XLogP3.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide with MolForge

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Related Compounds

10-[[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-7,10-dioxodecanoic acid;chloromethane;methyl 5-aminopentanoate;methyl 10-[[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-7,10-dioxodecanoate
CID 159432559
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 60596854
tert-butyl N-[2-(docosa-4,7,10,13,16,19-hexaenoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-N-propylcarbamate
CID 123472109
tert-butyl N-[(6S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-N-propylcarbamate
CID 169436976
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide
CID 82194095
3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 51101621
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
(6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 11528967
tert-butyl N-[(6R)-2-[3-(docosa-4,7,10,13,16,19-hexaenoylamino)propanoylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-N-propylcarbamate
CID 123169889
2-[methyl(methylsulfonyl)amino]-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 60610311
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
3-(4-methylphenyl)sulfanyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7254576

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide?
The IUPAC name of N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide (CID 160641227) is N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide.
What is the SMILES notation for N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide?
The canonical SMILES for N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide is CCCC(=O)Nc1nc2c(s1)C[C@@H](N(C)CCC)CC2.
What is the InChIKey of N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide?
The InChIKey is RJEVZSGJSSGFRM-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-6-14(19)17-15-16-12-8-7-11(10-13(12)20-15)18(3)9-5-2/h11H,4-10H2,1-3H3,(H,16,17,19)/t11-/m0/s1.
What are the key properties of N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide?
N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide has a molecular weight of 295.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide is sourced from PubChem (CID 160641227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).