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

C16H20N2S — CID 114361923

IUPAC[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(c1ccccc1)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C16H20N2S/c1-16(2,12-6-4-3-5-7-12)15-18-14(11-8-9-11)13(10-17)19-15/h3-7,11H,8-10,17H2,1-2H3
InChIKeyCXHLYUYOOSZXSR-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.81
Rot. Bonds4

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

[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361923) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361923
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(c1ccccc1)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C16H20N2S/c1-16(2,12-6-4-3-5-7-12)15-18-14(11-8-9-11)13(10-17)19-15/h3-7,11H,8-10,17H2,1-2H3
InChIKeyCXHLYUYOOSZXSR-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine (CID 114361923) is [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine is CC(C)(c1ccccc1)c1nc(C2CC2)c(CN)s1.
What is the InChIKey of [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CXHLYUYOOSZXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-16(2,12-6-4-3-5-7-12)15-18-14(11-8-9-11)13(10-17)19-15/h3-7,11H,8-10,17H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 272.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).