1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine

C14H16N6S — CID 63830975

IUPAC1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCC(NCCc1cscn1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H16N6S/c1-11(15-6-5-13-8-21-10-16-13)12-3-2-4-14(7-12)20-9-17-18-19-20/h2-4,7-11,15H,5-6H2,1H3
InChIKeyMGDWIVUADLOSII-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.01
Rot. Bonds6

About 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine

1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 63830975) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID63830975
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCC(NCCc1cscn1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H16N6S/c1-11(15-6-5-13-8-21-10-16-13)12-3-2-4-14(7-12)20-9-17-18-19-20/h2-4,7-11,15H,5-6H2,1H3
InChIKeyMGDWIVUADLOSII-UHFFFAOYSA-N
XLogP2.01
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 43195693
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 61281098
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103786245
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
N-(2-prop-2-ynylsulfanylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103902546
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine (CID 63830975) is 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine is CC(NCCc1cscn1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is MGDWIVUADLOSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-11(15-6-5-13-8-21-10-16-13)12-3-2-4-14(7-12)20-9-17-18-19-20/h2-4,7-11,15H,5-6H2,1H3.
What are the key properties of 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 300.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 63830975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).