[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine

C13H16N2OS — CID 55078974

IUPAC[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCCCOc1cccc(-c2nc(CN)cs2)c1
InChIInChI=1S/C13H16N2OS/c1-2-6-16-12-5-3-4-10(7-12)13-15-11(8-14)9-17-13/h3-5,7,9H,2,6,8,14H2,1H3
InChIKeyAVCGBILUHORWNS-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.06
Rot. Bonds5

About [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine

[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 55078974) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
PubChem CID55078974
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCCCOc1cccc(-c2nc(CN)cs2)c1
InChIInChI=1S/C13H16N2OS/c1-2-6-16-12-5-3-4-10(7-12)13-15-11(8-14)9-17-13/h3-5,7,9H,2,6,8,14H2,1H3
InChIKeyAVCGBILUHORWNS-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-2-(3-ethoxyphenyl)-1,3-thiazole
CID 82516061
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 94275533
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
2-[2-[3-[2-(diethylazaniumyl)ethoxy]phenyl]-1,3-thiazol-4-yl]acetate
CID 42302082
2-[2-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987102
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280499
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 115528203

Frequently Asked Questions

What is the IUPAC name of [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine (CID 55078974) is [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine is CCCOc1cccc(-c2nc(CN)cs2)c1.
What is the InChIKey of [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is AVCGBILUHORWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-6-16-12-5-3-4-10(7-12)13-15-11(8-14)9-17-13/h3-5,7,9H,2,6,8,14H2,1H3.
What are the key properties of [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine?
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 55078974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).