4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine

C16H20N2S — CID 77120064

IUPAC4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine
SMILESCCC(C)(C)c1ccc(C=Cc2csc(N)n2)cc1
InChIInChI=1S/C16H20N2S/c1-4-16(2,3)13-8-5-12(6-9-13)7-10-14-11-19-15(17)18-14/h5-11H,4H2,1-3H3,(H2,17,18)
InChIKeyPGRCBZMFQCDGRU-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.58
Rot. Bonds4

About 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine

4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine (PubChem CID 77120064) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine
PubChem CID77120064
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine
SMILESCCC(C)(C)c1ccc(C=Cc2csc(N)n2)cc1
InChIInChI=1S/C16H20N2S/c1-4-16(2,3)13-8-5-12(6-9-13)7-10-14-11-19-15(17)18-14/h5-11H,4H2,1-3H3,(H2,17,18)
InChIKeyPGRCBZMFQCDGRU-UHFFFAOYSA-N
XLogP4.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine (CID 77120064) is 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine is CCC(C)(C)c1ccc(C=Cc2csc(N)n2)cc1.
What is the InChIKey of 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine?
The InChIKey is PGRCBZMFQCDGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-4-16(2,3)13-8-5-12(6-9-13)7-10-14-11-19-15(17)18-14/h5-11H,4H2,1-3H3,(H2,17,18).
What are the key properties of 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine?
4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine has a molecular weight of 272.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77120064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).