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

C19H16F3N5S2 — CID 23653969

IUPAC(2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESN[C@H](CNc1ncc(-c2nc3ccncc3s2)s1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N5S2/c20-19(21,22)12-3-1-11(2-4-12)7-13(23)8-25-18-26-10-16(29-18)17-27-14-5-6-24-9-15(14)28-17/h1-6,9-10,13H,7-8,23H2,(H,25,26)/t13-/m0/s1
InChIKeyWBWWEGGTYJUJIS-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-[4-(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-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 23653969) 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-[4-(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-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID23653969
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-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESN[C@H](CNc1ncc(-c2nc3ccncc3s2)s1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N5S2/c20-19(21,22)12-3-1-11(2-4-12)7-13(23)8-25-18-26-10-16(29-18)17-27-14-5-6-24-9-15(14)28-17/h1-6,9-10,13H,7-8,23H2,(H,25,26)/t13-/m0/s1
InChIKeyWBWWEGGTYJUJIS-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

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

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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-[4-(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-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 23653969) is (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[4-(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-[4-(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-[4-(trifluoromethyl)phenyl]propane-1,2-diamine is N[C@H](CNc1ncc(-c2nc3ccncc3s2)s1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is WBWWEGGTYJUJIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16F3N5S2/c20-19(21,22)12-3-1-11(2-4-12)7-13(23)8-25-18-26-10-16(29-18)17-27-14-5-6-24-9-15(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-[4-(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-[4-(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-[4-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 23653969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).