(2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine

C21H24N6S — CID 59818240

IUPAC(2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
SMILESCC(C)c1[nH]nc2ccc(-c3nnc(N[C@H](CN)Cc4ccccc4)s3)cc12
InChIInChI=1S/C21H24N6S/c1-13(2)19-17-11-15(8-9-18(17)24-25-19)20-26-27-21(28-20)23-16(12-22)10-14-6-4-3-5-7-14/h3-9,11,13,16H,10,12,22H2,1-2H3,(H,23,27)(H,24,25)/t16-/m0/s1
InChIKeyXRUXZHOZCSBPFQ-INIZCTEOSA-N
MW392.53 g/mol
LogP4.19
Rot. Bonds7

About (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine

(2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine (PubChem CID 59818240) has the molecular formula C21H24N6S and a molecular weight of 392.53 g/mol. Its IUPAC name is (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
PubChem CID59818240
Molecular FormulaC21H24N6S
Molecular Weight392.53 g/mol
Exact Mass392.18
IUPAC Name(2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
SMILESCC(C)c1[nH]nc2ccc(-c3nnc(N[C@H](CN)Cc4ccccc4)s3)cc12
InChIInChI=1S/C21H24N6S/c1-13(2)19-17-11-15(8-9-18(17)24-25-19)20-26-27-21(28-20)23-16(12-22)10-14-6-4-3-5-7-14/h3-9,11,13,16H,10,12,22H2,1-2H3,(H,23,27)(H,24,25)/t16-/m0/s1
InChIKeyXRUXZHOZCSBPFQ-INIZCTEOSA-N
XLogP4.19
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-3-phenyl-2-[[5-(3-propyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]amino]propyl]isoindole-1,3-dione
CID 69231744
(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 24849351
(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
(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-5-phenylpentane-1,2-diamine
CID 59694482
(2R)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-4-ylpropane-1,2-diamine
CID 59818223
(2S,3S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylbutane-1,2-diamine
CID 67091967
(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
N'-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-N-[(2S)-2-phenylpropyl]methanediamine
CID 67091973
3-(2-fluorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67091846
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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The IUPAC name of (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine (CID 59818240) is (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine.
What is the SMILES notation for (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The canonical SMILES for (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine is CC(C)c1[nH]nc2ccc(-c3nnc(N[C@H](CN)Cc4ccccc4)s3)cc12.
What is the InChIKey of (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The InChIKey is XRUXZHOZCSBPFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N6S/c1-13(2)19-17-11-15(8-9-18(17)24-25-19)20-26-27-21(28-20)23-16(12-22)10-14-6-4-3-5-7-14/h3-9,11,13,16H,10,12,22H2,1-2H3,(H,23,27)(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
(2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine has a molecular weight of 392.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-N-[5-(3-propan-2-yl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine is sourced from PubChem (CID 59818240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).