(2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine

C21H20F3N5S — CID 87647754

IUPAC(2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCn1ncc2ccc(-c3cnc(NC[C@H](N)Cc4ccc(C(F)(F)F)cc4)s3)cc21
InChIInChI=1S/C21H20F3N5S/c1-29-18-9-14(4-5-15(18)10-28-29)19-12-27-20(30-19)26-11-17(25)8-13-2-6-16(7-3-13)21(22,23)24/h2-7,9-10,12,17H,8,11,25H2,1H3,(H,26,27)/t17-/m1/s1
InChIKeyGFKUTFHFJROQLY-QGZVFWFLSA-N
MW431.49 g/mol
LogP4.70
Rot. Bonds6

About (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine

(2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 87647754) has the molecular formula C21H20F3N5S and a molecular weight of 431.49 g/mol. Its IUPAC name is (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID87647754
Molecular FormulaC21H20F3N5S
Molecular Weight431.49 g/mol
Exact Mass431.14
IUPAC Name(2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCn1ncc2ccc(-c3cnc(NC[C@H](N)Cc4ccc(C(F)(F)F)cc4)s3)cc21
InChIInChI=1S/C21H20F3N5S/c1-29-18-9-14(4-5-15(18)10-28-29)19-12-27-20(30-19)26-11-17(25)8-13-2-6-16(7-3-13)21(22,23)24/h2-7,9-10,12,17H,8,11,25H2,1H3,(H,26,27)/t17-/m1/s1
InChIKeyGFKUTFHFJROQLY-QGZVFWFLSA-N
XLogP4.70
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-N-[5-(1-methylindazol-6-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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 87647754) is (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine is Cn1ncc2ccc(-c3cnc(NC[C@H](N)Cc4ccc(C(F)(F)F)cc4)s3)cc21.
What is the InChIKey of (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is GFKUTFHFJROQLY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20F3N5S/c1-29-18-9-14(4-5-15(18)10-28-29)19-12-27-20(30-19)26-11-17(25)8-13-2-6-16(7-3-13)21(22,23)24/h2-7,9-10,12,17H,8,11,25H2,1H3,(H,26,27)/t17-/m1/s1.
What are the key properties of (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine?
(2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 431.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 87647754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).