(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine

C17H17N7S — CID 67091252

IUPAC(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine
SMILESN[C@@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccncc1
InChIInChI=1S/C17H17N7S/c18-14(7-11-3-5-19-6-4-11)10-20-17-24-23-16(25-17)12-1-2-15-13(8-12)9-21-22-15/h1-6,8-9,14H,7,10,18H2,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyJIPAPYCMTLSJFD-CQSZACIVSA-N
MW351.44 g/mol
LogP2.46
Rot. Bonds6

About (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine

(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine (PubChem CID 67091252) has the molecular formula C17H17N7S and a molecular weight of 351.44 g/mol. Its IUPAC name is (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine
PubChem CID67091252
Molecular FormulaC17H17N7S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC Name(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine
SMILESN[C@@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccncc1
InChIInChI=1S/C17H17N7S/c18-14(7-11-3-5-19-6-4-11)10-20-17-24-23-16(25-17)12-1-2-15-13(8-12)9-21-22-15/h1-6,8-9,14H,7,10,18H2,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyJIPAPYCMTLSJFD-CQSZACIVSA-N
XLogP2.46
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine?
The IUPAC name of (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine (CID 67091252) is (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine is N[C@@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccncc1.
What is the InChIKey of (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine?
The InChIKey is JIPAPYCMTLSJFD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N7S/c18-14(7-11-3-5-19-6-4-11)10-20-17-24-23-16(25-17)12-1-2-15-13(8-12)9-21-22-15/h1-6,8-9,14H,7,10,18H2,(H,20,24)(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine?
(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine has a molecular weight of 351.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 67091252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).