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

C21H20F3N5OS2 — CID 23653782

IUPAC(2S)-1-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCOCc1nc(NC[C@@H](N)Cc2ccc(C(F)(F)F)cc2)sc1-c1nc2ccncc2s1
InChIInChI=1S/C21H20F3N5OS2/c1-30-11-16-18(19-28-15-6-7-26-10-17(15)31-19)32-20(29-16)27-9-14(25)8-12-2-4-13(5-3-12)21(22,23)24/h2-7,10,14H,8-9,11,25H2,1H3,(H,27,29)/t14-/m0/s1
InChIKeyQNPXGYWAPZLUDI-AWEZNQCLSA-N
MW479.55 g/mol
LogP4.96
Rot. Bonds8

About (2S)-1-N-[4-(methoxymethyl)-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-[4-(methoxymethyl)-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 23653782) has the molecular formula C21H20F3N5OS2 and a molecular weight of 479.55 g/mol. Its IUPAC name is (2S)-1-N-[4-(methoxymethyl)-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-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID23653782
Molecular FormulaC21H20F3N5OS2
Molecular Weight479.55 g/mol
Exact Mass479.11
IUPAC Name(2S)-1-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCOCc1nc(NC[C@@H](N)Cc2ccc(C(F)(F)F)cc2)sc1-c1nc2ccncc2s1
InChIInChI=1S/C21H20F3N5OS2/c1-30-11-16-18(19-28-15-6-7-26-10-17(15)31-19)32-20(29-16)27-9-14(25)8-12-2-4-13(5-3-12)21(22,23)24/h2-7,10,14H,8-9,11,25H2,1H3,(H,27,29)/t14-/m0/s1
InChIKeyQNPXGYWAPZLUDI-AWEZNQCLSA-N
XLogP4.96
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-1-N-[4-(methoxymethyl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 23653696
CID 23653696
CID 23653780
CID 23653780
CID 23653783
CID 23653783
CID 23653867
CID 23653867
CID 23653869
CID 23653869
CID 23653872
CID 23653872
CID 23653967
CID 23653967
CID 23653968
CID 23653968
CID 23653969
CID 23653969
CID 23653970
CID 23653970
CID 23653971
CID 23653971
CID 23654513
CID 23654513

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[4-(methoxymethyl)-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-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 23653782) is (2S)-1-N-[4-(methoxymethyl)-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-[4-(methoxymethyl)-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-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine is COCc1nc(NC[C@@H](N)Cc2ccc(C(F)(F)F)cc2)sc1-c1nc2ccncc2s1.
What is the InChIKey of (2S)-1-N-[4-(methoxymethyl)-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 QNPXGYWAPZLUDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20F3N5OS2/c1-30-11-16-18(19-28-15-6-7-26-10-17(15)31-19)32-20(29-16)27-9-14(25)8-12-2-4-13(5-3-12)21(22,23)24/h2-7,10,14H,8-9,11,25H2,1H3,(H,27,29)/t14-/m0/s1.
What are the key properties of (2S)-1-N-[4-(methoxymethyl)-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-[4-(methoxymethyl)-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 479.55 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[4-(methoxymethyl)-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 23653782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).