N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine

C16H13N3S — CID 44580519

IUPACN-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine
SMILESc1csc(CNc2nccc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C16H13N3S/c1-2-6-13-12(5-1)15-14(19-13)7-8-17-16(15)18-10-11-4-3-9-20-11/h1-9,19H,10H2,(H,17,18)
InChIKeyGTBMANUVWDTQIY-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.39
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine

N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine (PubChem CID 44580519) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine
PubChem CID44580519
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC NameN-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine
SMILESc1csc(CNc2nccc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C16H13N3S/c1-2-6-13-12(5-1)15-14(19-13)7-8-17-16(15)18-10-11-4-3-9-20-11/h1-9,19H,10H2,(H,17,18)
InChIKeyGTBMANUVWDTQIY-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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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine (CID 44580519) is N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine is c1csc(CNc2nccc3[nH]c4ccccc4c23)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine?
The InChIKey is GTBMANUVWDTQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-2-6-13-12(5-1)15-14(19-13)7-8-17-16(15)18-10-11-4-3-9-20-11/h1-9,19H,10H2,(H,17,18).
What are the key properties of N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine?
N-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-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-(thiophen-2-ylmethyl)-5H-pyrido[4,3-b]indol-1-amine is sourced from PubChem (CID 44580519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).