2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine

C14H18N2OS — CID 82104465

IUPAC2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)Oc1ccc(-c2ncsc2CCN)cc1
InChIInChI=1S/C14H18N2OS/c1-10(2)17-12-5-3-11(4-6-12)14-13(7-8-15)18-9-16-14/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyKSKFGSDNTPAIOS-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine

2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82104465) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82104465
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)Oc1ccc(-c2ncsc2CCN)cc1
InChIInChI=1S/C14H18N2OS/c1-10(2)17-12-5-3-11(4-6-12)14-13(7-8-15)18-9-16-14/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyKSKFGSDNTPAIOS-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
CID 94274161
[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195234
[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine
CID 117001852
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 28709823
N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 117000099
5-chloro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 105371122
5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 142476699
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine (CID 82104465) is 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine is CC(C)Oc1ccc(-c2ncsc2CCN)cc1.
What is the InChIKey of 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KSKFGSDNTPAIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)17-12-5-3-11(4-6-12)14-13(7-8-15)18-9-16-14/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine?
2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82104465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).