N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine

C15H13N3S — CID 107803892

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine
SMILESc1cnc2c(c1)CCC2Nc1ccc2ncsc2c1
InChIInChI=1S/C15H13N3S/c1-2-10-3-5-13(15(10)16-7-1)18-11-4-6-12-14(8-11)19-9-17-12/h1-2,4,6-9,13,18H,3,5H2
InChIKeyMLRVIUHOTMXOFE-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.79
Rot. Bonds2

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine (PubChem CID 107803892) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine
PubChem CID107803892
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine
SMILESc1cnc2c(c1)CCC2Nc1ccc2ncsc2c1
InChIInChI=1S/C15H13N3S/c1-2-10-3-5-13(15(10)16-7-1)18-11-4-6-12-14(8-11)19-9-17-12/h1-2,4,6-9,13,18H,3,5H2
InChIKeyMLRVIUHOTMXOFE-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773903
N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114259315
N-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)phenyl]acetamide
CID 102772462
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102772556
2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102773264
N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146
3-(1,3-benzothiazol-6-ylamino)pyrrolidine-2,5-dione
CID 107804200
N-(4-pentylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772729
N-(azepan-4-yl)-1,3-benzothiazol-6-amine
CID 107803941
N-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 107584839
2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
CID 79079725
N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,3-benzothiazol-6-amine
CID 107803844

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine (CID 107803892) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine is c1cnc2c(c1)CCC2Nc1ccc2ncsc2c1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine?
The InChIKey is MLRVIUHOTMXOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-2-10-3-5-13(15(10)16-7-1)18-11-4-6-12-14(8-11)19-9-17-12/h1-2,4,6-9,13,18H,3,5H2.
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine has a molecular weight of 267.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107803892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).