N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine

C13H13N3S — CID 54865666

IUPACN-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
SMILESCc1ccsc1CNc1cccc2[nH]ncc12
InChIInChI=1S/C13H13N3S/c1-9-5-6-17-13(9)8-14-11-3-2-4-12-10(11)7-15-16-12/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyCKRAYPNREHGYIN-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.54
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine

N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine (PubChem CID 54865666) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
PubChem CID54865666
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
SMILESCc1ccsc1CNc1cccc2[nH]ncc12
InChIInChI=1S/C13H13N3S/c1-9-5-6-17-13(9)8-14-11-3-2-4-12-10(11)7-15-16-12/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyCKRAYPNREHGYIN-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine (CID 54865666) is N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine is Cc1ccsc1CNc1cccc2[nH]ncc12.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine?
The InChIKey is CKRAYPNREHGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-9-5-6-17-13(9)8-14-11-3-2-4-12-10(11)7-15-16-12/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine?
N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine has a molecular weight of 243.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 54865666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).