[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine

C14H18N2S — CID 63717442

IUPAC[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESCCC(C)c1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C14H18N2S/c1-3-10(2)14-16-13(9-17-14)12-6-4-5-11(7-12)8-15/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeyNCCXYEAWWAJTDP-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.78
Rot. Bonds4

About [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine

[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine (PubChem CID 63717442) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
PubChem CID63717442
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESCCC(C)c1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C14H18N2S/c1-3-10(2)14-16-13(9-17-14)12-6-4-5-11(7-12)8-15/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeyNCCXYEAWWAJTDP-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine (CID 63717442) is [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine is CCC(C)c1nc(-c2cccc(CN)c2)cs1.
What is the InChIKey of [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine?
The InChIKey is NCCXYEAWWAJTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-10(2)14-16-13(9-17-14)12-6-4-5-11(7-12)8-15/h4-7,9-10H,3,8,15H2,1-2H3.
What are the key properties of [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine?
[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 63717442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).