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

C15H18N2OS — CID 82436466

IUPAC[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1ccc(OCc2nc(C3CC3)c(CN)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-10-2-6-12(7-3-10)18-9-14-17-15(11-4-5-11)13(8-16)19-14/h2-3,6-7,11H,4-5,8-9,16H2,1H3
InChIKeyAKMIJNVCUVYBHP-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.37
Rot. Bonds5

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

[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82436466) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82436466
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1ccc(OCc2nc(C3CC3)c(CN)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-10-2-6-12(7-3-10)18-9-14-17-15(11-4-5-11)13(8-16)19-14/h2-3,6-7,11H,4-5,8-9,16H2,1H3
InChIKeyAKMIJNVCUVYBHP-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437189
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
1-[4-cyclopropyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436579
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436409
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82426004
[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82436840
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (CID 82436466) is [4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is Cc1ccc(OCc2nc(C3CC3)c(CN)s2)cc1.
What is the InChIKey of [4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is AKMIJNVCUVYBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-2-6-12(7-3-10)18-9-14-17-15(11-4-5-11)13(8-16)19-14/h2-3,6-7,11H,4-5,8-9,16H2,1H3.
What are the key properties of [4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 3.37, 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-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82436466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).