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

C16H20N2OS — CID 82436502

IUPAC[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1cccc(OCc2nc(C3CC3)c(CN)s2)c1
InChIInChI=1S/C16H20N2OS/c1-2-11-4-3-5-13(8-11)19-10-15-18-16(12-6-7-12)14(9-17)20-15/h3-5,8,12H,2,6-7,9-10,17H2,1H3
InChIKeyMYOQBFUMJRXLLM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.62
Rot. Bonds6

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

[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82436502) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82436502
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1cccc(OCc2nc(C3CC3)c(CN)s2)c1
InChIInChI=1S/C16H20N2OS/c1-2-11-4-3-5-13(8-11)19-10-15-18-16(12-6-7-12)14(9-17)20-15/h3-5,8,12H,2,6-7,9-10,17H2,1H3
InChIKeyMYOQBFUMJRXLLM-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437143
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436409
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428920
6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (CID 82436502) is [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is CCc1cccc(OCc2nc(C3CC3)c(CN)s2)c1.
What is the InChIKey of [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is MYOQBFUMJRXLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-11-4-3-5-13(8-11)19-10-15-18-16(12-6-7-12)14(9-17)20-15/h3-5,8,12H,2,6-7,9-10,17H2,1H3.
What are the key properties of [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82436502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).