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

C23H24F3N5OS — CID 87647320

IUPAC(2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-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-c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C23H24F3N5OS/c1-13-18-10-15(5-8-19(18)31-30-13)21-20(12-32-2)29-22(33-21)28-11-17(27)9-14-3-6-16(7-4-14)23(24,25)26/h3-8,10,17H,9,11-12,27H2,1-2H3,(H,28,29)(H,30,31)/t17-/m1/s1
InChIKeyBOQHAWYNJHNJKM-QGZVFWFLSA-N
MW475.54 g/mol
LogP5.14
Rot. Bonds8

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

(2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 87647320) has the molecular formula C23H24F3N5OS and a molecular weight of 475.54 g/mol. Its IUPAC name is (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID87647320
Molecular FormulaC23H24F3N5OS
Molecular Weight475.54 g/mol
Exact Mass475.17
IUPAC Name(2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-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-c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C23H24F3N5OS/c1-13-18-10-15(5-8-19(18)31-30-13)21-20(12-32-2)29-22(33-21)28-11-17(27)9-14-3-6-16(7-4-14)23(24,25)26/h3-8,10,17H,9,11-12,27H2,1-2H3,(H,28,29)(H,30,31)/t17-/m1/s1
InChIKeyBOQHAWYNJHNJKM-QGZVFWFLSA-N
XLogP5.14
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-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

(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
(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
5-[2-[[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 87647509
5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 74080228
3-(4-tert-butylphenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67091659
(2S)-3-(4-tert-butylphenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 59694455
[2-[[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-5-(1H-indazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 23653695
3-(4-bromophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67091603
(2R)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-phenylphenyl)propane-1,2-diamine
CID 67091493
6-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(hydroxymethyl)-1,3-thiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 76571265
(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 (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 87647320) is (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-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-c1ccc2n[nH]c(C)c2c1.
What is the InChIKey of (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is BOQHAWYNJHNJKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24F3N5OS/c1-13-18-10-15(5-8-19(18)31-30-13)21-20(12-32-2)29-22(33-21)28-11-17(27)9-14-3-6-16(7-4-14)23(24,25)26/h3-8,10,17H,9,11-12,27H2,1-2H3,(H,28,29)(H,30,31)/t17-/m1/s1.
What are the key properties of (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
(2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 475.54 g/mol, XLogP of 5.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 87647320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).