2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine

C17H24N2OS — CID 82430111

IUPAC2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCOc1ccc(-c2nc(CC)c(C(C)(C)N)s2)cc1
InChIInChI=1S/C17H24N2OS/c1-5-11-20-13-9-7-12(8-10-13)16-19-14(6-2)15(21-16)17(3,4)18/h7-10H,5-6,11,18H2,1-4H3
InChIKeyGZXDHNAADIQUCR-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.36
Rot. Bonds6

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

2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82430111) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82430111
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCOc1ccc(-c2nc(CC)c(C(C)(C)N)s2)cc1
InChIInChI=1S/C17H24N2OS/c1-5-11-20-13-9-7-12(8-10-13)16-19-14(6-2)15(21-16)17(3,4)18/h7-10H,5-6,11,18H2,1-4H3
InChIKeyGZXDHNAADIQUCR-UHFFFAOYSA-N
XLogP4.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82430113
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427117
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol
CID 82430134
2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441236
2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine
CID 82440030
2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
6-dodecoxy-2-(4-dodecoxyphenyl)-1,3-benzothiazole
CID 102049010
5-amino-2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 103199894
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
4-ethyl-2-[4-[2-(3-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984956

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82430111) is 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine is CCCOc1ccc(-c2nc(CC)c(C(C)(C)N)s2)cc1.
What is the InChIKey of 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is GZXDHNAADIQUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-11-20-13-9-7-12(8-10-13)16-19-14(6-2)15(21-16)17(3,4)18/h7-10H,5-6,11,18H2,1-4H3.
What are the key properties of 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82430111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).