N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C22H22N6OS3 — CID 24675443

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCCc2cccs2)s1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H22N6OS3/c29-20(14-31-22-26-25-21(32-22)23-11-10-17-7-4-12-30-17)24-19-13-18(15-8-9-15)27-28(19)16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2,(H,23,25)(H,24,29)
InChIKeyOAFLPBTXFALOCP-UHFFFAOYSA-N
MW482.66 g/mol
LogP5.05
Rot. Bonds10

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24675443) has the molecular formula C22H22N6OS3 and a molecular weight of 482.66 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID24675443
Molecular FormulaC22H22N6OS3
Molecular Weight482.66 g/mol
Exact Mass482.10
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCCc2cccs2)s1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H22N6OS3/c29-20(14-31-22-26-25-21(32-22)23-11-10-17-7-4-12-30-17)24-19-13-18(15-8-9-15)27-28(19)16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2,(H,23,25)(H,24,29)
InChIKeyOAFLPBTXFALOCP-UHFFFAOYSA-N
XLogP5.05
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24675301
N-cyclohexyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 51283622
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 8939675
N-(2-methylsulfonylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24562908
N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16576812
N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664689
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
CID 24572513
N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664702
1-(4-methylpiperidin-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 16576646
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16576708
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664714

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 24675443) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(NCCc2cccs2)s1)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OAFLPBTXFALOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS3/c29-20(14-31-22-26-25-21(32-22)23-11-10-17-7-4-12-30-17)24-19-13-18(15-8-9-15)27-28(19)16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2,(H,23,25)(H,24,29).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 482.66 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24675443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).