1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol

C14H21N5O2S — CID 154294433

IUPAC1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol
SMILESCN(C)Cc1cccc(OCC(O)CNc2nsnc2N)c1
InChIInChI=1S/C14H21N5O2S/c1-19(2)8-10-4-3-5-12(6-10)21-9-11(20)7-16-14-13(15)17-22-18-14/h3-6,11,20H,7-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyCXXAVVLINHMIJN-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.03
Rot. Bonds8

About 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol

1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol (PubChem CID 154294433) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol
PubChem CID154294433
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol
SMILESCN(C)Cc1cccc(OCC(O)CNc2nsnc2N)c1
InChIInChI=1S/C14H21N5O2S/c1-19(2)8-10-4-3-5-12(6-10)21-9-11(20)7-16-14-13(15)17-22-18-14/h3-6,11,20H,7-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyCXXAVVLINHMIJN-UHFFFAOYSA-N
XLogP1.03
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[4-(2-methoxyethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 154178373
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
(2S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125137805
1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 72906038
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571
1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
CID 43531526
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol (CID 154294433) is 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol is CN(C)Cc1cccc(OCC(O)CNc2nsnc2N)c1.
What is the InChIKey of 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol?
The InChIKey is CXXAVVLINHMIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-19(2)8-10-4-3-5-12(6-10)21-9-11(20)7-16-14-13(15)17-22-18-14/h3-6,11,20H,7-9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol?
1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol has a molecular weight of 323.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-3-[3-[(dimethylamino)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 154294433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).