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

C19H20N6S — CID 67091331

IUPAC(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine
SMILESCc1cc2[nH]ncc2cc1-c1nnc(NC[C@H](N)Cc2ccccc2)s1
InChIInChI=1S/C19H20N6S/c1-12-7-17-14(10-22-23-17)9-16(12)18-24-25-19(26-18)21-11-15(20)8-13-5-3-2-4-6-13/h2-7,9-10,15H,8,11,20H2,1H3,(H,21,25)(H,22,23)/t15-/m1/s1
InChIKeyYGFWEZGDCVPFDS-OAHLLOKOSA-N
MW364.48 g/mol
LogP3.37
Rot. Bonds6

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

(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine (PubChem CID 67091331) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine
PubChem CID67091331
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine
SMILESCc1cc2[nH]ncc2cc1-c1nnc(NC[C@H](N)Cc2ccccc2)s1
InChIInChI=1S/C19H20N6S/c1-12-7-17-14(10-22-23-17)9-16(12)18-24-25-19(26-18)21-11-15(20)8-13-5-3-2-4-6-13/h2-7,9-10,15H,8,11,20H2,1H3,(H,21,25)(H,22,23)/t15-/m1/s1
InChIKeyYGFWEZGDCVPFDS-OAHLLOKOSA-N
XLogP3.37
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-phenylpropane-1,2-diamine?
The IUPAC name of (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine (CID 67091331) is (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-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-phenylpropane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine is Cc1cc2[nH]ncc2cc1-c1nnc(NC[C@H](N)Cc2ccccc2)s1.
What is the InChIKey of (2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine?
The InChIKey is YGFWEZGDCVPFDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N6S/c1-12-7-17-14(10-22-23-17)9-16(12)18-24-25-19(26-18)21-11-15(20)8-13-5-3-2-4-6-13/h2-7,9-10,15H,8,11,20H2,1H3,(H,21,25)(H,22,23)/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-phenylpropane-1,2-diamine?
(2R)-1-N-[5-(6-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropane-1,2-diamine has a molecular weight of 364.48 g/mol, XLogP of 3.37, 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-phenylpropane-1,2-diamine is sourced from PubChem (CID 67091331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).