N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine

C16H13N3S2 — CID 60931499

IUPACN-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine
SMILESc1csc(-c2csc(CNc3cccc4[nH]ncc34)c2)c1
InChIInChI=1S/C16H13N3S2/c1-3-14(13-9-18-19-15(13)4-1)17-8-12-7-11(10-21-12)16-5-2-6-20-16/h1-7,9-10,17H,8H2,(H,18,19)
InChIKeyILLACQSNBLNTJG-UHFFFAOYSA-N
MW311.44 g/mol
LogP4.97
Rot. Bonds4

About N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine

N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine (PubChem CID 60931499) has the molecular formula C16H13N3S2 and a molecular weight of 311.44 g/mol. Its IUPAC name is N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine
PubChem CID60931499
Molecular FormulaC16H13N3S2
Molecular Weight311.44 g/mol
Exact Mass311.06
IUPAC NameN-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine
SMILESc1csc(-c2csc(CNc3cccc4[nH]ncc34)c2)c1
InChIInChI=1S/C16H13N3S2/c1-3-14(13-9-18-19-15(13)4-1)17-8-12-7-11(10-21-12)16-5-2-6-20-16/h1-7,9-10,17H,8H2,(H,18,19)
InChIKeyILLACQSNBLNTJG-UHFFFAOYSA-N
XLogP4.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine?
The IUPAC name of N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine (CID 60931499) is N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine?
The canonical SMILES for N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine is c1csc(-c2csc(CNc3cccc4[nH]ncc34)c2)c1.
What is the InChIKey of N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine?
The InChIKey is ILLACQSNBLNTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S2/c1-3-14(13-9-18-19-15(13)4-1)17-8-12-7-11(10-21-12)16-5-2-6-20-16/h1-7,9-10,17H,8H2,(H,18,19).
What are the key properties of N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine?
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine has a molecular weight of 311.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 60931499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).