(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine

C20H19F3N6S — CID 67091749

IUPAC(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCc1cc2[nH]ncc2cc1-c1nnc(NC[C@H](N)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C20H19F3N6S/c1-11-6-17-13(9-26-27-17)8-16(11)18-28-29-19(30-18)25-10-15(24)7-12-2-4-14(5-3-12)20(21,22)23/h2-6,8-9,15H,7,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m1/s1
InChIKeyVSONASGVUPEWFY-OAHLLOKOSA-N
MW432.48 g/mol
LogP4.39
Rot. Bonds6

About (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine

(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 67091749) has the molecular formula C20H19F3N6S and a molecular weight of 432.48 g/mol. Its IUPAC name is (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID67091749
Molecular FormulaC20H19F3N6S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC Name(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCc1cc2[nH]ncc2cc1-c1nnc(NC[C@H](N)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C20H19F3N6S/c1-11-6-17-13(9-26-27-17)8-16(11)18-28-29-19(30-18)25-10-15(24)7-12-2-4-14(5-3-12)20(21,22)23/h2-6,8-9,15H,7,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m1/s1
InChIKeyVSONASGVUPEWFY-OAHLLOKOSA-N
XLogP4.39
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine
CID 67091331
(2S)-1-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 67091664
(2S)-1-N-[5-(6-fluoro-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propane-1,2-diamine
CID 59694451
(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-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 11524833
(2R)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 67091771
(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine
CID 67091252
(2S)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 11718127
(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine;hydrochloride
CID 171932288
[2-[[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-5-(1H-indazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 23653695
(2R)-3-(4-chlorophenyl)-1-N-[5-(4-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67091500
(2S,3R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]butane-1,2-diamine
CID 67091785

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 67091749) is (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine is Cc1cc2[nH]ncc2cc1-c1nnc(NC[C@H](N)Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is VSONASGVUPEWFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19F3N6S/c1-11-6-17-13(9-26-27-17)8-16(11)18-28-29-19(30-18)25-10-15(24)7-12-2-4-14(5-3-12)20(21,22)23/h2-6,8-9,15H,7,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m1/s1.
What are the key properties of (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 432.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 67091749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).