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

C16H22N2S — CID 102625963

IUPAC[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
SMILESCCCCCCc1csc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C16H22N2S/c1-2-3-4-5-6-15-12-19-16(18-15)14-9-7-13(11-17)8-10-14/h7-10,12H,2-6,11,17H2,1H3
InChIKeyFCQPQIZQLNIWKB-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.39
Rot. Bonds7

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

[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine (PubChem CID 102625963) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
PubChem CID102625963
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
SMILESCCCCCCc1csc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C16H22N2S/c1-2-3-4-5-6-15-12-19-16(18-15)14-9-7-13(11-17)8-10-14/h7-10,12H,2-6,11,17H2,1H3
InChIKeyFCQPQIZQLNIWKB-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
CID 150718553
3-[2-(4-propylphenyl)-1,3-thiazol-4-yl]propanenitrile
CID 116890055
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596

Frequently Asked Questions

What is the IUPAC name of [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine (CID 102625963) is [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine is CCCCCCc1csc(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine?
The InChIKey is FCQPQIZQLNIWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-3-4-5-6-15-12-19-16(18-15)14-9-7-13(11-17)8-10-14/h7-10,12H,2-6,11,17H2,1H3.
What are the key properties of [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine?
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 102625963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).