5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide

C19H22N4OS — CID 30295154

IUPAC5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
SMILESCN(C)c1ccc(NC(=O)CCCCc2nc3ccccc3s2)cn1
InChIInChI=1S/C19H22N4OS/c1-23(2)17-12-11-14(13-20-17)21-18(24)9-5-6-10-19-22-15-7-3-4-8-16(15)25-19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,24)
InChIKeyRSHSOHVTQWTIRR-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.11
Rot. Bonds7

About 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide

5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide (PubChem CID 30295154) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
PubChem CID30295154
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
SMILESCN(C)c1ccc(NC(=O)CCCCc2nc3ccccc3s2)cn1
InChIInChI=1S/C19H22N4OS/c1-23(2)17-12-11-14(13-20-17)21-18(24)9-5-6-10-19-22-15-7-3-4-8-16(15)25-19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,24)
InChIKeyRSHSOHVTQWTIRR-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
4-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N,N-dimethylbenzamide
CID 34544923
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 17459361
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119418973

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide (CID 30295154) is 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide is CN(C)c1ccc(NC(=O)CCCCc2nc3ccccc3s2)cn1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide?
The InChIKey is RSHSOHVTQWTIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-23(2)17-12-11-14(13-20-17)21-18(24)9-5-6-10-19-22-15-7-3-4-8-16(15)25-19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,24).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide?
5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide has a molecular weight of 354.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide is sourced from PubChem (CID 30295154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).