5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide

C12H15N3OS2 — CID 114281764

IUPAC5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide
SMILESNC(=O)CCCCSc1nc2ccc(N)cc2s1
InChIInChI=1S/C12H15N3OS2/c13-8-4-5-9-10(7-8)18-12(15-9)17-6-2-1-3-11(14)16/h4-5,7H,1-3,6,13H2,(H2,14,16)
InChIKeyJGJRQJAHNKWBEF-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.63
Rot. Bonds6

About 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide

5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide (PubChem CID 114281764) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide.

Molecular Properties

Compound Name5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide
PubChem CID114281764
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide
SMILESNC(=O)CCCCSc1nc2ccc(N)cc2s1
InChIInChI=1S/C12H15N3OS2/c13-8-4-5-9-10(7-8)18-12(15-9)17-6-2-1-3-11(14)16/h4-5,7H,1-3,6,13H2,(H2,14,16)
InChIKeyJGJRQJAHNKWBEF-UHFFFAOYSA-N
XLogP2.63
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
CID 57063491
2-butylsulfanyl-1,3-benzothiazol-6-amine
CID 3101507
methyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate
CID 760825
4-[(6-amino-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid
CID 2880608
4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanoic acid
CID 5177275
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;methoxycyclobutane
CID 177333382
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-butylacetamide
CID 5204003
6-(1,3-benzothiazol-2-ylsulfanyl)hexan-2-one
CID 43793990
2-(2-pyrazol-1-ylethylsulfanyl)-1,3-benzothiazol-6-amine
CID 54960974
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 61489831
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 61357673
methyl 9-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]nonanoate
CID 17368558

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide?
The IUPAC name of 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide (CID 114281764) is 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide.
What is the SMILES notation for 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide?
The canonical SMILES for 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide is NC(=O)CCCCSc1nc2ccc(N)cc2s1.
What is the InChIKey of 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide?
The InChIKey is JGJRQJAHNKWBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c13-8-4-5-9-10(7-8)18-12(15-9)17-6-2-1-3-11(14)16/h4-5,7H,1-3,6,13H2,(H2,14,16).
What are the key properties of 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide?
5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide has a molecular weight of 281.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide is sourced from PubChem (CID 114281764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).