(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine

C13H16N2OS — CID 62499480

IUPAC(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
SMILESCCCOc1cccc(C(N)c2nccs2)c1
InChIInChI=1S/C13H16N2OS/c1-2-7-16-11-5-3-4-10(9-11)12(14)13-15-6-8-17-13/h3-6,8-9,12H,2,7,14H2,1H3
InChIKeyPSLLUWCTUMLOSE-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.98
Rot. Bonds5

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

(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 62499480) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
PubChem CID62499480
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
SMILESCCCOc1cccc(C(N)c2nccs2)c1
InChIInChI=1S/C13H16N2OS/c1-2-7-16-11-5-3-4-10(9-11)12(14)13-15-6-8-17-13/h3-6,8-9,12H,2,7,14H2,1H3
InChIKeyPSLLUWCTUMLOSE-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
1-benzothiophen-7-yl-(3-propoxyphenyl)methanamine
CID 105021889
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
CID 62499814
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 55132743
(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 62921378
(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 102828054
(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
CID 115804729
3-bromo-2-[chloro-(3-propoxyphenyl)methyl]thiophene
CID 80535853

Frequently Asked Questions

What is the IUPAC name of (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine (CID 62499480) is (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine is CCCOc1cccc(C(N)c2nccs2)c1.
What is the InChIKey of (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is PSLLUWCTUMLOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-7-16-11-5-3-4-10(9-11)12(14)13-15-6-8-17-13/h3-6,8-9,12H,2,7,14H2,1H3.
What are the key properties of (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine?
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 62499480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).