N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C13H18N2S — CID 84588719

IUPACN-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCc1nc2c(s1)C(NC1CC=CC1)CCC2
InChIInChI=1S/C13H18N2S/c1-9-14-11-7-4-8-12(13(11)16-9)15-10-5-2-3-6-10/h2-3,10,12,15H,4-8H2,1H3
InChIKeyDFYUMXYXMCLJCL-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.14
Rot. Bonds2

About N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 84588719) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID84588719
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCc1nc2c(s1)C(NC1CC=CC1)CCC2
InChIInChI=1S/C13H18N2S/c1-9-14-11-7-4-8-12(13(11)16-9)15-10-5-2-3-6-10/h2-3,10,12,15H,4-8H2,1H3
InChIKeyDFYUMXYXMCLJCL-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.14
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

2-methyl-N-(3-methylcyclobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 115892353
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
(7R)-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97231721
2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 75383177
(7R)-N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97233253
3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]propan-1-ol
CID 154737889
(7S)-2-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97323193
2-amino-N-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-5-nitrobenzamide
CID 99790654
2-methyl-7-(5-methyl-1,2,4-triazin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 126708513
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N'-(4-pyridin-4-ylsulfanylphenyl)oxamide
CID 166205824
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-amine
CID 83872768
N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide
CID 71931835

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 84588719) is N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is Cc1nc2c(s1)C(NC1CC=CC1)CCC2.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is DFYUMXYXMCLJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9-14-11-7-4-8-12(13(11)16-9)15-10-5-2-3-6-10/h2-3,10,12,15H,4-8H2,1H3.
What are the key properties of N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-cyclopent-3-en-1-yl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 234.37 g/mol, XLogP of 3.14, 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-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 84588719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).