N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide

C8H4ClN7OS — CID 114052468

IUPACN-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide
SMILESO=C(Nc1nc(Cl)c2[nH]cnc2n1)c1cnns1
InChIInChI=1S/C8H4ClN7OS/c9-5-4-6(11-2-10-4)14-8(13-5)15-7(17)3-1-12-16-18-3/h1-2H,(H2,10,11,13,14,15,17)
InChIKeyADNBQOVANCIVLN-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.11
Rot. Bonds2

About N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide

N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide (PubChem CID 114052468) has the molecular formula C8H4ClN7OS and a molecular weight of 281.69 g/mol. Its IUPAC name is N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide
PubChem CID114052468
Molecular FormulaC8H4ClN7OS
Molecular Weight281.69 g/mol
Exact Mass280.99
IUPAC NameN-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide
SMILESO=C(Nc1nc(Cl)c2[nH]cnc2n1)c1cnns1
InChIInChI=1S/C8H4ClN7OS/c9-5-4-6(11-2-10-4)14-8(13-5)15-7(17)3-1-12-16-18-3/h1-2H,(H2,10,11,13,14,15,17)
InChIKeyADNBQOVANCIVLN-UHFFFAOYSA-N
XLogP1.11
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide (CID 114052468) is N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide is O=C(Nc1nc(Cl)c2[nH]cnc2n1)c1cnns1.
What is the InChIKey of N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide?
The InChIKey is ADNBQOVANCIVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN7OS/c9-5-4-6(11-2-10-4)14-8(13-5)15-7(17)3-1-12-16-18-3/h1-2H,(H2,10,11,13,14,15,17).
What are the key properties of N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide?
N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide has a molecular weight of 281.69 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 114052468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).