N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine

C14H10N6S — CID 71607470

IUPACN-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc2[nH]c(Nc3nnc(-c4ccncc4)s3)nc2c1
InChIInChI=1S/C14H10N6S/c1-2-4-11-10(3-1)16-13(17-11)18-14-20-19-12(21-14)9-5-7-15-8-6-9/h1-8H,(H2,16,17,18,20)
InChIKeyNITCRYPIDYEBCG-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.22
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine

N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 71607470) has the molecular formula C14H10N6S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID71607470
Molecular FormulaC14H10N6S
Molecular Weight294.34 g/mol
Exact Mass294.07
IUPAC NameN-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc2[nH]c(Nc3nnc(-c4ccncc4)s3)nc2c1
InChIInChI=1S/C14H10N6S/c1-2-4-11-10(3-1)16-13(17-11)18-14-20-19-12(21-14)9-5-7-15-8-6-9/h1-8H,(H2,16,17,18,20)
InChIKeyNITCRYPIDYEBCG-UHFFFAOYSA-N
XLogP3.22
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 71607470) is N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is c1ccc2[nH]c(Nc3nnc(-c4ccncc4)s3)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is NITCRYPIDYEBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S/c1-2-4-11-10(3-1)16-13(17-11)18-14-20-19-12(21-14)9-5-7-15-8-6-9/h1-8H,(H2,16,17,18,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 294.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 71607470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).