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

C16H20N2S — CID 58495685

IUPAC[4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCc1sc(CCC2CC2)nc1-c1ccc(CN)cc1
InChIInChI=1S/C16H20N2S/c1-11-16(14-7-4-13(10-17)5-8-14)18-15(19-11)9-6-12-2-3-12/h4-5,7-8,12H,2-3,6,9-10,17H2,1H3
InChIKeySZPRUCLMPNEAQQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.92
Rot. Bonds5

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

[4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine (PubChem CID 58495685) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine
PubChem CID58495685
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name[4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCc1sc(CCC2CC2)nc1-c1ccc(CN)cc1
InChIInChI=1S/C16H20N2S/c1-11-16(14-7-4-13(10-17)5-8-14)18-15(19-11)9-6-12-2-3-12/h4-5,7-8,12H,2-3,6,9-10,17H2,1H3
InChIKeySZPRUCLMPNEAQQ-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine?
The IUPAC name of [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine (CID 58495685) is [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine?
The canonical SMILES for [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine is Cc1sc(CCC2CC2)nc1-c1ccc(CN)cc1.
What is the InChIKey of [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine?
The InChIKey is SZPRUCLMPNEAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-16(14-7-4-13(10-17)5-8-14)18-15(19-11)9-6-12-2-3-12/h4-5,7-8,12H,2-3,6,9-10,17H2,1H3.
What are the key properties of [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine?
[4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine has a molecular weight of 272.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 58495685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).