N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine

C14H17N5S — CID 19977088

IUPACN,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine
SMILESCN(C)CCc1csc2ccc(-c3nnn(C)n3)cc12
InChIInChI=1S/C14H17N5S/c1-18(2)7-6-11-9-20-13-5-4-10(8-12(11)13)14-15-17-19(3)16-14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyUGRAMVJBCJLHJQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.20
Rot. Bonds4

About N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine

N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine (PubChem CID 19977088) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine
PubChem CID19977088
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine
SMILESCN(C)CCc1csc2ccc(-c3nnn(C)n3)cc12
InChIInChI=1S/C14H17N5S/c1-18(2)7-6-11-9-20-13-5-4-10(8-12(11)13)14-15-17-19(3)16-14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyUGRAMVJBCJLHJQ-UHFFFAOYSA-N
XLogP2.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine (CID 19977088) is N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine is CN(C)CCc1csc2ccc(-c3nnn(C)n3)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine?
The InChIKey is UGRAMVJBCJLHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-18(2)7-6-11-9-20-13-5-4-10(8-12(11)13)14-15-17-19(3)16-14/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine?
N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine is sourced from PubChem (CID 19977088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).