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

C15H18N2OS — CID 82437246

IUPAC[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOc1ccccc1-c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C15H18N2OS/c1-2-18-12-6-4-3-5-11(12)15-17-14(10-7-8-10)13(9-16)19-15/h3-6,10H,2,7-9,16H2,1H3
InChIKeySFOGFBCRYDRGGA-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.54
Rot. Bonds5

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

[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82437246) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82437246
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOc1ccccc1-c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C15H18N2OS/c1-2-18-12-6-4-3-5-11(12)15-17-14(10-7-8-10)13(9-16)19-15/h3-6,10H,2,7-9,16H2,1H3
InChIKeySFOGFBCRYDRGGA-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437353
2-[4-cyclopropyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437226
(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanamine
CID 82436315
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82432604
[2-(2-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 82429992
(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
CID 82436375
[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114361920
[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361924
6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66312008
[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82437280
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine (CID 82437246) is [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine is CCOc1ccccc1-c1nc(C2CC2)c(CN)s1.
What is the InChIKey of [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is SFOGFBCRYDRGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-18-12-6-4-3-5-11(12)15-17-14(10-7-8-10)13(9-16)19-15/h3-6,10H,2,7-9,16H2,1H3.
What are the key properties of [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82437246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).