2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide

C12H18N6OS2 — CID 46982936

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(Cn1ccnc1)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H18N6OS2/c1-8(2)9(5-18-4-3-14-7-18)15-10(19)6-20-12-17-16-11(13)21-12/h3-4,7-9H,5-6H2,1-2H3,(H2,13,16)(H,15,19)
InChIKeyYXQRURKNZXBSDR-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.25
Rot. Bonds7

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide (PubChem CID 46982936) has the molecular formula C12H18N6OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide
PubChem CID46982936
Molecular FormulaC12H18N6OS2
Molecular Weight326.45 g/mol
Exact Mass326.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(Cn1ccnc1)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H18N6OS2/c1-8(2)9(5-18-4-3-14-7-18)15-10(19)6-20-12-17-16-11(13)21-12/h3-4,7-9H,5-6H2,1-2H3,(H2,13,16)(H,15,19)
InChIKeyYXQRURKNZXBSDR-UHFFFAOYSA-N
XLogP1.25
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide (CID 46982936) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide is CC(C)C(Cn1ccnc1)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide?
The InChIKey is YXQRURKNZXBSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS2/c1-8(2)9(5-18-4-3-14-7-18)15-10(19)6-20-12-17-16-11(13)21-12/h3-4,7-9H,5-6H2,1-2H3,(H2,13,16)(H,15,19).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide has a molecular weight of 326.45 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-imidazol-1-yl-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 46982936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).