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

C15H18N2OS — CID 82436143

IUPAC[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(Cc2nc(C3CC3)c(CN)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-18-12-6-2-10(3-7-12)8-14-17-15(11-4-5-11)13(9-16)19-14/h2-3,6-7,11H,4-5,8-9,16H2,1H3
InChIKeyLVSWJPNCFXEJPW-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.08
Rot. Bonds5

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

[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82436143) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82436143
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(Cc2nc(C3CC3)c(CN)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-18-12-6-2-10(3-7-12)8-14-17-15(11-4-5-11)13(9-16)19-14/h2-3,6-7,11H,4-5,8-9,16H2,1H3
InChIKeyLVSWJPNCFXEJPW-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine (CID 82436143) is [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine is COc1ccc(Cc2nc(C3CC3)c(CN)s2)cc1.
What is the InChIKey of [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is LVSWJPNCFXEJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-12-6-2-10(3-7-12)8-14-17-15(11-4-5-11)13(9-16)19-14/h2-3,6-7,11H,4-5,8-9,16H2,1H3.
What are the key properties of [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82436143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).