1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C17H22N2OS — CID 71855441

IUPAC1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ccc(CNCc2scnc2C)c(OCC2CC2)c1
InChIInChI=1S/C17H22N2OS/c1-12-3-6-15(16(7-12)20-10-14-4-5-14)8-18-9-17-13(2)19-11-21-17/h3,6-7,11,14,18H,4-5,8-10H2,1-2H3
InChIKeyUWEXKVRBVGGHPJ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.84
Rot. Bonds7

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

1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 71855441) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID71855441
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ccc(CNCc2scnc2C)c(OCC2CC2)c1
InChIInChI=1S/C17H22N2OS/c1-12-3-6-15(16(7-12)20-10-14-4-5-14)8-18-9-17-13(2)19-11-21-17/h3,6-7,11,14,18H,4-5,8-10H2,1-2H3
InChIKeyUWEXKVRBVGGHPJ-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 71855441) is 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ccc(CNCc2scnc2C)c(OCC2CC2)c1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is UWEXKVRBVGGHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-3-6-15(16(7-12)20-10-14-4-5-14)8-18-9-17-13(2)19-11-21-17/h3,6-7,11,14,18H,4-5,8-10H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 302.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 71855441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).