N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine

C11H17N5S — CID 107065100

IUPACN-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1nnn(C)n1
InChIInChI=1S/C11H17N5S/c1-3-12-10(6-9-4-5-17-8-9)7-11-13-15-16(2)14-11/h4-5,8,10,12H,3,6-7H2,1-2H3
InChIKeyIGCYYDHYCCFQFJ-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.03
Rot. Bonds6

About N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine

N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 107065100) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
PubChem CID107065100
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1nnn(C)n1
InChIInChI=1S/C11H17N5S/c1-3-12-10(6-9-4-5-17-8-9)7-11-13-15-16(2)14-11/h4-5,8,10,12H,3,6-7H2,1-2H3
InChIKeyIGCYYDHYCCFQFJ-UHFFFAOYSA-N
XLogP1.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
N-ethyl-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107049227
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
CID 107048302
N-ethyl-6-methyl-1-thiophen-3-ylheptan-2-amine
CID 105177028
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine (CID 107065100) is N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine is CCNC(Cc1ccsc1)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is IGCYYDHYCCFQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-12-10(6-9-4-5-17-8-9)7-11-13-15-16(2)14-11/h4-5,8,10,12H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine?
N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 107065100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).