2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C16H18N6OS2 — CID 8000087

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C16H18N6OS2/c1-11(2)22-13(8-9-17-22)19-14(23)10-24-16-21-20-15(25-16)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyIRQFOVYBSAETGU-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.79
Rot. Bonds7

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 8000087) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID8000087
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C16H18N6OS2/c1-11(2)22-13(8-9-17-22)19-14(23)10-24-16-21-20-15(25-16)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyIRQFOVYBSAETGU-UHFFFAOYSA-N
XLogP3.79
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531
2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 8848906
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 7999992
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40625938
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis[(2R)-butan-2-yl]acetamide
CID 8848834
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 3381995
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 97087051
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3424280
methyl 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetate
CID 7999811
2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2504682
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
methyl (2S,3R)-2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methylpentanoate
CID 8848874

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 8000087) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CSc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is IRQFOVYBSAETGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c1-11(2)22-13(8-9-17-22)19-14(23)10-24-16-21-20-15(25-16)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,23).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 374.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 8000087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).