N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine

C16H13N3S — CID 62699427

IUPACN-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine
SMILESc1ccc2c(CNc3ccc4[nH]ncc4c3)csc2c1
InChIInChI=1S/C16H13N3S/c1-2-4-16-14(3-1)12(10-20-16)8-17-13-5-6-15-11(7-13)9-18-19-15/h1-7,9-10,17H,8H2,(H,18,19)
InChIKeyFLUATCCBOXSEIU-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.39
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine

N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine (PubChem CID 62699427) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine
PubChem CID62699427
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine
SMILESc1ccc2c(CNc3ccc4[nH]ncc4c3)csc2c1
InChIInChI=1S/C16H13N3S/c1-2-4-16-14(3-1)12(10-20-16)8-17-13-5-6-15-11(7-13)9-18-19-15/h1-7,9-10,17H,8H2,(H,18,19)
InChIKeyFLUATCCBOXSEIU-UHFFFAOYSA-N
XLogP4.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(anthracen-9-ylmethyl)-1H-indazol-5-amine
CID 784305
N-(1-benzothiophen-3-ylmethyl)quinolin-3-amine
CID 62699615
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874
N-(1-benzothiophen-3-ylmethyl)-3,4-dimethoxyaniline
CID 60962379
N-(1-benzothiophen-3-ylmethyl)-3-ethynylaniline
CID 62699030
N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine
CID 60696868
N-(1-benzothiophen-3-ylmethyl)-3-chloro-4-methylaniline
CID 63418536
N-[(5-nitrothiophen-3-yl)methyl]-1H-indazol-5-amine
CID 60811291
N-(1-benzothiophen-3-ylmethyl)-4-(chloromethyl)aniline
CID 65026198
N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
CID 104854338

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine (CID 62699427) is N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine is c1ccc2c(CNc3ccc4[nH]ncc4c3)csc2c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine?
The InChIKey is FLUATCCBOXSEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-2-4-16-14(3-1)12(10-20-16)8-17-13-5-6-15-11(7-13)9-18-19-15/h1-7,9-10,17H,8H2,(H,18,19).
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine?
N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine has a molecular weight of 279.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine is sourced from PubChem (CID 62699427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).