(2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine

C19H16F3N5S2 — CID 23653968

IUPAC(2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESN[C@H](CNc1ncc(-c2nc3ccncc3s2)s1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5S2/c20-19(21,22)12-3-1-2-11(6-12)7-13(23)8-25-18-26-10-16(29-18)17-27-14-4-5-24-9-15(14)28-17/h1-6,9-10,13H,7-8,23H2,(H,25,26)/t13-/m0/s1
InChIKeyAWXUWXYPLGCSOO-ZDUSSCGKSA-N
MW435.50 g/mol
LogP4.82
Rot. Bonds6

About (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine

(2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 23653968) has the molecular formula C19H16F3N5S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID23653968
Molecular FormulaC19H16F3N5S2
Molecular Weight435.50 g/mol
Exact Mass435.08
IUPAC Name(2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESN[C@H](CNc1ncc(-c2nc3ccncc3s2)s1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5S2/c20-19(21,22)12-3-1-2-11(6-12)7-13(23)8-25-18-26-10-16(29-18)17-27-14-4-5-24-9-15(14)28-17/h1-6,9-10,13H,7-8,23H2,(H,25,26)/t13-/m0/s1
InChIKeyAWXUWXYPLGCSOO-ZDUSSCGKSA-N
XLogP4.82
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine
CID 76571314
4-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl]-N-benzyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-amine
CID 140541801
(2S)-1-N-benzyl-1-N-[3-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-2H-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 159358028
(2S)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 11538974
(2S)-1-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 11697668
(2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 87647754
[1-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235142
6-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-2H-phthalazin-1-one
CID 87647217
(2R)-3-(3-fluorophenyl)-1-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 67091302
[2-[[(2S)-2-amino-3-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propyl]amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-4-yl]methanol
CID 89344293
1-N-(5-quinazolin-6-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 67089298
(2S)-1-N-[5-(3-methyl-1H-indol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 154292098

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 23653968) is (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine is N[C@H](CNc1ncc(-c2nc3ccncc3s2)s1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is AWXUWXYPLGCSOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16F3N5S2/c20-19(21,22)12-3-1-2-11(6-12)7-13(23)8-25-18-26-10-16(29-18)17-27-14-4-5-24-9-15(14)28-17/h1-6,9-10,13H,7-8,23H2,(H,25,26)/t13-/m0/s1.
What are the key properties of (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine?
(2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 435.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 23653968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).