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

C18H24N2S — CID 114361924

IUPAC[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(CC)(c1ccccc1)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C18H24N2S/c1-3-18(4-2,14-8-6-5-7-9-14)17-20-16(13-10-11-13)15(12-19)21-17/h5-9,13H,3-4,10-12,19H2,1-2H3
InChIKeyQOCSVYURQDFQFA-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.59
Rot. Bonds6

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

[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361924) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361924
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(CC)(c1ccccc1)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C18H24N2S/c1-3-18(4-2,14-8-6-5-7-9-14)17-20-16(13-10-11-13)15(12-19)21-17/h5-9,13H,3-4,10-12,19H2,1-2H3
InChIKeyQOCSVYURQDFQFA-UHFFFAOYSA-N
XLogP4.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine (CID 114361924) is [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine is CCC(CC)(c1ccccc1)c1nc(C2CC2)c(CN)s1.
What is the InChIKey of [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QOCSVYURQDFQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-3-18(4-2,14-8-6-5-7-9-14)17-20-16(13-10-11-13)15(12-19)21-17/h5-9,13H,3-4,10-12,19H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 300.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).