4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide

C17H17N3O2S — CID 2472699

IUPAC4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cn1
InChIInChI=1S/C17H17N3O2S/c1-22-16-10-9-12(11-18-16)19-15(21)7-4-8-17-20-13-5-2-3-6-14(13)23-17/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21)
InChIKeyWFCZHYFMLZPPNK-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.66
Rot. Bonds6

About 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide

4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide (PubChem CID 2472699) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
PubChem CID2472699
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cn1
InChIInChI=1S/C17H17N3O2S/c1-22-16-10-9-12(11-18-16)19-15(21)7-4-8-17-20-13-5-2-3-6-14(13)23-17/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21)
InChIKeyWFCZHYFMLZPPNK-UHFFFAOYSA-N
XLogP3.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
CID 30295154
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119418973
4-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N,N-dimethylbenzamide
CID 34544923
4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 46427440
4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638446
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 44773909
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 166336252
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide (CID 2472699) is 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide is COc1ccc(NC(=O)CCCc2nc3ccccc3s2)cn1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide?
The InChIKey is WFCZHYFMLZPPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-16-10-9-12(11-18-16)19-15(21)7-4-8-17-20-13-5-2-3-6-14(13)23-17/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide?
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide has a molecular weight of 327.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide is sourced from PubChem (CID 2472699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).