5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine

C13H15N7S — CID 122507397

IUPAC5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESN[C@@H]1CCN(c2nnc(Nc3ccc4[nH]ncc4c3)s2)C1
InChIInChI=1S/C13H15N7S/c14-9-3-4-20(7-9)13-19-18-12(21-13)16-10-1-2-11-8(5-10)6-15-17-11/h1-2,5-6,9H,3-4,7,14H2,(H,15,17)(H,16,18)/t9-/m1/s1
InChIKeyUKUXGCIUCWYBEY-SECBINFHSA-N
MW301.38 g/mol
LogP1.70
Rot. Bonds3

About 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine

5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 122507397) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID122507397
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESN[C@@H]1CCN(c2nnc(Nc3ccc4[nH]ncc4c3)s2)C1
InChIInChI=1S/C13H15N7S/c14-9-3-4-20(7-9)13-19-18-12(21-13)16-10-1-2-11-8(5-10)6-15-17-11/h1-2,5-6,9H,3-4,7,14H2,(H,15,17)(H,16,18)/t9-/m1/s1
InChIKeyUKUXGCIUCWYBEY-SECBINFHSA-N
XLogP1.70
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 122507397) is 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is N[C@@H]1CCN(c2nnc(Nc3ccc4[nH]ncc4c3)s2)C1.
What is the InChIKey of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UKUXGCIUCWYBEY-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N7S/c14-9-3-4-20(7-9)13-19-18-12(21-13)16-10-1-2-11-8(5-10)6-15-17-11/h1-2,5-6,9H,3-4,7,14H2,(H,15,17)(H,16,18)/t9-/m1/s1.
What are the key properties of 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 301.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122507397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).