N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine

C14H16N6S — CID 122507532

IUPACN-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine
SMILESc1cc2[nH]ncc2cc1Nc1nnc(C2CCCNC2)s1
InChIInChI=1S/C14H16N6S/c1-2-9(7-15-5-1)13-19-20-14(21-13)17-11-3-4-12-10(6-11)8-16-18-12/h3-4,6,8-9,15H,1-2,5,7H2,(H,16,18)(H,17,20)
InChIKeyYZPULVYFBWJDDO-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.62
Rot. Bonds3

About N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine

N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 122507532) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID122507532
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine
SMILESc1cc2[nH]ncc2cc1Nc1nnc(C2CCCNC2)s1
InChIInChI=1S/C14H16N6S/c1-2-9(7-15-5-1)13-19-20-14(21-13)17-11-3-4-12-10(6-11)8-16-18-12/h3-4,6,8-9,15H,1-2,5,7H2,(H,16,18)(H,17,20)
InChIKeyYZPULVYFBWJDDO-UHFFFAOYSA-N
XLogP2.62
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine (CID 122507532) is N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine is c1cc2[nH]ncc2cc1Nc1nnc(C2CCCNC2)s1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is YZPULVYFBWJDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-9(7-15-5-1)13-19-20-14(21-13)17-11-3-4-12-10(6-11)8-16-18-12/h3-4,6,8-9,15H,1-2,5,7H2,(H,16,18)(H,17,20).
What are the key properties of N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine?
N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 300.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122507532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).