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

C13H16N2OS — CID 62496797

IUPAC(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
SMILESCCCOc1ccc(C(N)c2nccs2)cc1
InChIInChI=1S/C13H16N2OS/c1-2-8-16-11-5-3-10(4-6-11)12(14)13-15-7-9-17-13/h3-7,9,12H,2,8,14H2,1H3
InChIKeyRXTLNFXONKTUAZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.98
Rot. Bonds5

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

(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 62496797) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
PubChem CID62496797
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
SMILESCCCOc1ccc(C(N)c2nccs2)cc1
InChIInChI=1S/C13H16N2OS/c1-2-8-16-11-5-3-10(4-6-11)12(14)13-15-7-9-17-13/h3-7,9,12H,2,8,14H2,1H3
InChIKeyRXTLNFXONKTUAZ-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

(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62540693
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
2-(4-propoxyphenoxy)-1,3-thiazole
CID 175814412
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
CID 115853519
(4-propoxyphenyl)-(thiadiazol-4-yl)methanamine
CID 105144161
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
CID 67115711
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine (CID 62496797) is (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine is CCCOc1ccc(C(N)c2nccs2)cc1.
What is the InChIKey of (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is RXTLNFXONKTUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-8-16-11-5-3-10(4-6-11)12(14)13-15-7-9-17-13/h3-7,9,12H,2,8,14H2,1H3.
What are the key properties of (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine?
(4-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 (4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 62496797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).