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

C14H18N2OS — CID 61336837

IUPAC1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-4-12(15)14-16-13(9(2)18-14)10-5-7-11(17-3)8-6-10/h5-8,12H,4,15H2,1-3H3
InChIKeyZLBNSBWXFCVJFW-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.54
Rot. Bonds4

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

1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 61336837) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
PubChem CID61336837
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-4-12(15)14-16-13(9(2)18-14)10-5-7-11(17-3)8-6-10/h5-8,12H,4,15H2,1-3H3
InChIKeyZLBNSBWXFCVJFW-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
CID 61337044
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
CID 61336437
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 119264683
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 120984258
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 55102196
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337687

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine (CID 61336837) is 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine is CCC(N)c1nc(-c2ccc(OC)cc2)c(C)s1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is ZLBNSBWXFCVJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-12(15)14-16-13(9(2)18-14)10-5-7-11(17-3)8-6-10/h5-8,12H,4,15H2,1-3H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 61336837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).