4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide

C16H15N3OS — CID 51162107

IUPAC4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1cccnc1
InChIInChI=1S/C16H15N3OS/c20-15(18-12-5-4-10-17-11-12)8-3-9-16-19-13-6-1-2-7-14(13)21-16/h1-2,4-7,10-11H,3,8-9H2,(H,18,20)
InChIKeyJAMYWCCWZPPXMR-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.65
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide

4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide (PubChem CID 51162107) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
PubChem CID51162107
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1cccnc1
InChIInChI=1S/C16H15N3OS/c20-15(18-12-5-4-10-17-11-12)8-3-9-16-19-13-6-1-2-7-14(13)21-16/h1-2,4-7,10-11H,3,8-9H2,(H,18,20)
InChIKeyJAMYWCCWZPPXMR-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylmethoxy)-N-pyridin-3-ylacetamide
CID 31745788
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
CID 30295154
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
4-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N,N-dimethylbenzamide
CID 34544923
4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638446
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
2-[3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]phenyl]acetic acid
CID 119351780
4-(1,3-benzothiazol-2-yl)-N-[[3-(butanoylamino)phenyl]methyl]butanamide
CID 55782553

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide (CID 51162107) is 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide is O=C(CCCc1nc2ccccc2s1)Nc1cccnc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide?
The InChIKey is JAMYWCCWZPPXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-15(18-12-5-4-10-17-11-12)8-3-9-16-19-13-6-1-2-7-14(13)21-16/h1-2,4-7,10-11H,3,8-9H2,(H,18,20).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide?
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide has a molecular weight of 297.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 51162107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).