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

C19H19ClN6S — CID 67091527

IUPAC(2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
SMILESCc1[nH]nc2ccc(-c3nnc(NC[C@H](N)Cc4cccc(Cl)c4)s3)cc12
InChIInChI=1S/C19H19ClN6S/c1-11-16-9-13(5-6-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-3-2-4-14(20)7-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m1/s1
InChIKeyHHNFRVFYHNQUPY-OAHLLOKOSA-N
MW398.92 g/mol
LogP4.03
Rot. Bonds6

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

(2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine (PubChem CID 67091527) has the molecular formula C19H19ClN6S and a molecular weight of 398.92 g/mol. Its IUPAC name is (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
PubChem CID67091527
Molecular FormulaC19H19ClN6S
Molecular Weight398.92 g/mol
Exact Mass398.11
IUPAC Name(2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
SMILESCc1[nH]nc2ccc(-c3nnc(NC[C@H](N)Cc4cccc(Cl)c4)s3)cc12
InChIInChI=1S/C19H19ClN6S/c1-11-16-9-13(5-6-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-3-2-4-14(20)7-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m1/s1
InChIKeyHHNFRVFYHNQUPY-OAHLLOKOSA-N
XLogP4.03
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]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

(2R)-3-(2,4-dichlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67091222
(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
1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-naphthalen-1-ylpropane-1,2-diamine
CID 68704160
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
3-(4-bromophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67091603
(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
3-(2-fluorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67091846
(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
(2S,3S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylbutane-1,2-diamine
CID 67091967
[1-[[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate
CID 87264859
N'-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-N-[(2S)-2-phenylpropyl]methanediamine
CID 67091973

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The IUPAC name of (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine (CID 67091527) is (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine.
What is the SMILES notation for (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The canonical SMILES for (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine is Cc1[nH]nc2ccc(-c3nnc(NC[C@H](N)Cc4cccc(Cl)c4)s3)cc12.
What is the InChIKey of (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The InChIKey is HHNFRVFYHNQUPY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19ClN6S/c1-11-16-9-13(5-6-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-3-2-4-14(20)7-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
(2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine has a molecular weight of 398.92 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-chlorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine is sourced from PubChem (CID 67091527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).