1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine

C15H21N3S — CID 43681735

IUPAC1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(C)Cc1ccc(C(C)NCc2csnn2)cc1
InChIInChI=1S/C15H21N3S/c1-11(2)8-13-4-6-14(7-5-13)12(3)16-9-15-10-19-18-17-15/h4-7,10-12,16H,8-9H2,1-3H3
InChIKeyKMFXCCCCSAJOMU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.59
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine

1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43681735) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43681735
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(C)Cc1ccc(C(C)NCc2csnn2)cc1
InChIInChI=1S/C15H21N3S/c1-11(2)8-13-4-6-14(7-5-13)12(3)16-9-15-10-19-18-17-15/h4-7,10-12,16H,8-9H2,1-3H3
InChIKeyKMFXCCCCSAJOMU-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43681735) is 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine is CC(C)Cc1ccc(C(C)NCc2csnn2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is KMFXCCCCSAJOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11(2)8-13-4-6-14(7-5-13)12(3)16-9-15-10-19-18-17-15/h4-7,10-12,16H,8-9H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine?
1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43681735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).