[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine

C16H22N2S — CID 63081877

IUPAC[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(CC)(c1ccccc1)c1nc(C)c(CN)s1
InChIInChI=1S/C16H22N2S/c1-4-16(5-2,13-9-7-6-8-10-13)15-18-12(3)14(11-17)19-15/h6-10H,4-5,11,17H2,1-3H3
InChIKeyAADOHXIDZKKLAY-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.02
Rot. Bonds5

About [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine

[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63081877) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63081877
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(CC)(c1ccccc1)c1nc(C)c(CN)s1
InChIInChI=1S/C16H22N2S/c1-4-16(5-2,13-9-7-6-8-10-13)15-18-12(3)14(11-17)19-15/h6-10H,4-5,11,17H2,1-3H3
InChIKeyAADOHXIDZKKLAY-UHFFFAOYSA-N
XLogP4.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine (CID 63081877) is [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine is CCC(CC)(c1ccccc1)c1nc(C)c(CN)s1.
What is the InChIKey of [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is AADOHXIDZKKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-16(5-2,13-9-7-6-8-10-13)15-18-12(3)14(11-17)19-15/h6-10H,4-5,11,17H2,1-3H3.
What are the key properties of [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63081877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).