N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine

C12H12N2S — CID 115695581

IUPACN-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
SMILESC1=CCC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C12H12N2S/c1-2-6-9(5-1)13-12-14-10-7-3-4-8-11(10)15-12/h1-4,7-9H,5-6H2,(H,13,14)
InChIKeyZMPACSHYQHHHSZ-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.43
Rot. Bonds2

About N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine

N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine (PubChem CID 115695581) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
PubChem CID115695581
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC NameN-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
SMILESC1=CCC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C12H12N2S/c1-2-6-9(5-1)13-12-14-10-7-3-4-8-11(10)15-12/h1-4,7-9H,5-6H2,(H,13,14)
InChIKeyZMPACSHYQHHHSZ-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
CID 123863996
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
trans-(1R,2R)-2-N-(1,3-benzothiazol-2-yl)cyclohexane-1,2-diamine
CID 93453955
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-benzothiazol-2-amine
CID 70778453
N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 167960032
1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one
CID 86694233
4-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1H-pyrimidine-4,5-diamine
CID 172724861
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol
CID 133496116

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine (CID 115695581) is N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine is C1=CCC(Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine?
The InChIKey is ZMPACSHYQHHHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-6-9(5-1)13-12-14-10-7-3-4-8-11(10)15-12/h1-4,7-9H,5-6H2,(H,13,14).
What are the key properties of N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine?
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine has a molecular weight of 216.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 115695581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).