2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

C13H12N4S — CID 45496469

IUPAC2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1nc3ccccc3s1)CCC2
InChIInChI=1S/C13H12N4S/c14-12-8-4-3-6-9(8)16-17(12)13-15-10-5-1-2-7-11(10)18-13/h1-2,5,7H,3-4,6,14H2
InChIKeyDNHCMHKDOYLGDD-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.55
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (PubChem CID 45496469) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
PubChem CID45496469
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1nc3ccccc3s1)CCC2
InChIInChI=1S/C13H12N4S/c14-12-8-4-3-6-9(8)16-17(12)13-15-10-5-1-2-7-11(10)18-13/h1-2,5,7H,3-4,6,14H2
InChIKeyDNHCMHKDOYLGDD-UHFFFAOYSA-N
XLogP2.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65353442
1-(1,3-benzothiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976966
5-amino-1-(1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102796706
14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one
CID 11058239
1-(1,3-benzothiazol-2-yl)pyrazol-3-amine
CID 57073470
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348552
5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102796709
2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine
CID 163322820
2-(1,3-benzothiazol-2-yl)-5-ethoxy-1,2,4-triazol-3-amine
CID 79872179
(3aR,7aR)-2-(1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2253497
[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine
CID 70422837
2-(3,5-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348310

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (CID 45496469) is 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is Nc1c2c(nn1-c1nc3ccccc3s1)CCC2.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The InChIKey is DNHCMHKDOYLGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-12-8-4-3-6-9(8)16-17(12)13-15-10-5-1-2-7-11(10)18-13/h1-2,5,7H,3-4,6,14H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine has a molecular weight of 256.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 45496469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).