N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine

C15H13N3S — CID 18445647

IUPACN-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine
SMILESc1ccc(Nc2n[nH]c3c2CCc2sccc2-3)cc1
InChIInChI=1S/C15H13N3S/c1-2-4-10(5-3-1)16-15-12-6-7-13-11(8-9-19-13)14(12)17-18-15/h1-5,8-9H,6-7H2,(H2,16,17,18)
InChIKeyTYTVTPLSJNCNMU-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.98
Rot. Bonds2

About N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine

N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine (PubChem CID 18445647) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine.

Molecular Properties

Compound NameN-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine
PubChem CID18445647
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine
SMILESc1ccc(Nc2n[nH]c3c2CCc2sccc2-3)cc1
InChIInChI=1S/C15H13N3S/c1-2-4-10(5-3-1)16-15-12-6-7-13-11(8-9-19-13)14(12)17-18-15/h1-5,8-9H,6-7H2,(H2,16,17,18)
InChIKeyTYTVTPLSJNCNMU-UHFFFAOYSA-N
XLogP3.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine?
The IUPAC name of N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine (CID 18445647) is N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine.
What is the SMILES notation for N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine?
The canonical SMILES for N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine is c1ccc(Nc2n[nH]c3c2CCc2sccc2-3)cc1.
What is the InChIKey of N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine?
The InChIKey is TYTVTPLSJNCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-2-4-10(5-3-1)16-15-12-6-7-13-11(8-9-19-13)14(12)17-18-15/h1-5,8-9H,6-7H2,(H2,16,17,18).
What are the key properties of N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine?
N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine has a molecular weight of 267.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine is sourced from PubChem (CID 18445647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).