2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine

C16H22N2OS — CID 82432590

IUPAC2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(-c2ccccc2OC)sc1C(C)(C)N
InChIInChI=1S/C16H22N2OS/c1-5-8-12-14(16(2,3)17)20-15(18-12)11-9-6-7-10-13(11)19-4/h6-7,9-10H,5,8,17H2,1-4H3
InChIKeyCUVZWIYWUWWABU-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.96
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82432590) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82432590
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(-c2ccccc2OC)sc1C(C)(C)N
InChIInChI=1S/C16H22N2OS/c1-5-8-12-14(16(2,3)17)20-15(18-12)11-9-6-7-10-13(11)19-4/h6-7,9-10H,5,8,17H2,1-4H3
InChIKeyCUVZWIYWUWWABU-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
CID 82432584
(E)-3-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82432592
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82429979
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82432604
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183
2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707
2-[4-ethyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430074
2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile
CID 748947
2-(2-ethoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432610

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine (CID 82432590) is 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine is CCCc1nc(-c2ccccc2OC)sc1C(C)(C)N.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is CUVZWIYWUWWABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-8-12-14(16(2,3)17)20-15(18-12)11-9-6-7-10-13(11)19-4/h6-7,9-10H,5,8,17H2,1-4H3.
What are the key properties of 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82432590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).