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

C9H10N6OS2 — CID 2458295

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)CSc2nnc(N)s2)n1
InChIInChI=1S/C9H10N6OS2/c1-5-2-3-11-8(12-5)13-6(16)4-17-9-15-14-7(10)18-9/h2-3H,4H2,1H3,(H2,10,14)(H,11,12,13,16)
InChIKeyVHNMTMQCWKQAPC-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.95
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide (PubChem CID 2458295) has the molecular formula C9H10N6OS2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide
PubChem CID2458295
Molecular FormulaC9H10N6OS2
Molecular Weight282.35 g/mol
Exact Mass282.04
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)CSc2nnc(N)s2)n1
InChIInChI=1S/C9H10N6OS2/c1-5-2-3-11-8(12-5)13-6(16)4-17-9-15-14-7(10)18-9/h2-3H,4H2,1H3,(H2,10,14)(H,11,12,13,16)
InChIKeyVHNMTMQCWKQAPC-UHFFFAOYSA-N
XLogP0.95
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 16595927
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2488997
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 628005
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[[4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]disulfanyl]phenyl]acetamide
CID 17324841
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 2706598
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenoxy]phenyl]acetamide
CID 17324757
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 39063542
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)phenyl]acetamide
CID 2115070
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(difluoromethyl)phenyl]acetamide
CID 5217313
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324820
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide (CID 2458295) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide is Cc1ccnc(NC(=O)CSc2nnc(N)s2)n1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide?
The InChIKey is VHNMTMQCWKQAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS2/c1-5-2-3-11-8(12-5)13-6(16)4-17-9-15-14-7(10)18-9/h2-3H,4H2,1H3,(H2,10,14)(H,11,12,13,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide has a molecular weight of 282.35 g/mol, XLogP of 0.95, 4 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-(4-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 2458295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).