N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide

C18H22N2OS — CID 60596854

IUPACN-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C18H22N2OS/c1-2-3-9-17(21)20-18-19-15-11-10-14(12-16(15)22-18)13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,20,21)
InChIKeyFXBXWMIIOQJDOJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.54
Rot. Bonds5

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

N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide (PubChem CID 60596854) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
PubChem CID60596854
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C18H22N2OS/c1-2-3-9-17(21)20-18-19-15-11-10-14(12-16(15)22-18)13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,20,21)
InChIKeyFXBXWMIIOQJDOJ-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120561536
cis-(1S,2R)-2-methyl-N-[(6S)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 100850122
2-(cyclopropylmethoxy)-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71884311
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60596798
2-acetamido-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 95588654
2-amino-3-methoxy-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 120987782
6-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-propylpyridazine-3-carboxamide
CID 86852038
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
CID 75510344
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 63472248
3,6-dichloro-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 60596740
N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
CID 160641227

Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide?
The IUPAC name of N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide (CID 60596854) is N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide.
What is the SMILES notation for N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide?
The canonical SMILES for N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide is CCCCC(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2.
What is the InChIKey of N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide?
The InChIKey is FXBXWMIIOQJDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-3-9-17(21)20-18-19-15-11-10-14(12-16(15)22-18)13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,20,21).
What are the key properties of N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide?
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide has a molecular weight of 314.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide is sourced from PubChem (CID 60596854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).