2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C9H7ClN8OS — CID 53369983

IUPAC2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CNc1nc(Cl)nc2nc[nH]c12)Nc1nncs1
InChIInChI=1S/C9H7ClN8OS/c10-8-16-6(5-7(17-8)13-2-12-5)11-1-4(19)15-9-18-14-3-20-9/h2-3H,1H2,(H,15,18,19)(H2,11,12,13,16,17)
InChIKeyDJAVXMPEZSPJFK-UHFFFAOYSA-N
MW310.73 g/mol
LogP0.91
Rot. Bonds4

About 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 53369983) has the molecular formula C9H7ClN8OS and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID53369983
Molecular FormulaC9H7ClN8OS
Molecular Weight310.73 g/mol
Exact Mass310.02
IUPAC Name2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CNc1nc(Cl)nc2nc[nH]c12)Nc1nncs1
InChIInChI=1S/C9H7ClN8OS/c10-8-16-6(5-7(17-8)13-2-12-5)11-1-4(19)15-9-18-14-3-20-9/h2-3H,1H2,(H,15,18,19)(H2,11,12,13,16,17)
InChIKeyDJAVXMPEZSPJFK-UHFFFAOYSA-N
XLogP0.91
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 53369983) is 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CNc1nc(Cl)nc2nc[nH]c12)Nc1nncs1.
What is the InChIKey of 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DJAVXMPEZSPJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN8OS/c10-8-16-6(5-7(17-8)13-2-12-5)11-1-4(19)15-9-18-14-3-20-9/h2-3H,1H2,(H,15,18,19)(H2,11,12,13,16,17).
What are the key properties of 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 310.73 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 53369983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).