(4-propoxyphenyl)-(thiadiazol-4-yl)methanamine

C12H15N3OS — CID 105144161

IUPAC(4-propoxyphenyl)-(thiadiazol-4-yl)methanamine
SMILESCCCOc1ccc(C(N)c2csnn2)cc1
InChIInChI=1S/C12H15N3OS/c1-2-7-16-10-5-3-9(4-6-10)12(13)11-8-17-15-14-11/h3-6,8,12H,2,7,13H2,1H3
InChIKeyDIVVZEIXXAYWSY-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.38
Rot. Bonds5

About (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine

(4-propoxyphenyl)-(thiadiazol-4-yl)methanamine (PubChem CID 105144161) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-propoxyphenyl)-(thiadiazol-4-yl)methanamine
PubChem CID105144161
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(4-propoxyphenyl)-(thiadiazol-4-yl)methanamine
SMILESCCCOc1ccc(C(N)c2csnn2)cc1
InChIInChI=1S/C12H15N3OS/c1-2-7-16-10-5-3-9(4-6-10)12(13)11-8-17-15-14-11/h3-6,8,12H,2,7,13H2,1H3
InChIKeyDIVVZEIXXAYWSY-UHFFFAOYSA-N
XLogP2.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
CID 115853519
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine?
The IUPAC name of (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine (CID 105144161) is (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine?
The canonical SMILES for (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine is CCCOc1ccc(C(N)c2csnn2)cc1.
What is the InChIKey of (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine?
The InChIKey is DIVVZEIXXAYWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-7-16-10-5-3-9(4-6-10)12(13)11-8-17-15-14-11/h3-6,8,12H,2,7,13H2,1H3.
What are the key properties of (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine?
(4-propoxyphenyl)-(thiadiazol-4-yl)methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105144161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).