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

C21H20N6O2S2 — CID 24675301

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCc2ccco2)s1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H20N6O2S2/c28-19(13-30-21-25-24-20(31-21)22-12-16-7-4-10-29-16)23-18-11-17(14-8-9-14)26-27(18)15-5-2-1-3-6-15/h1-7,10-11,14H,8-9,12-13H2,(H,22,24)(H,23,28)
InChIKeyUUDMCSUHERJTCU-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.54
Rot. Bonds9

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

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24675301) has the molecular formula C21H20N6O2S2 and a molecular weight of 452.57 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID24675301
Molecular FormulaC21H20N6O2S2
Molecular Weight452.57 g/mol
Exact Mass452.11
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCc2ccco2)s1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H20N6O2S2/c28-19(13-30-21-25-24-20(31-21)22-12-16-7-4-10-29-16)23-18-11-17(14-8-9-14)26-27(18)15-5-2-1-3-6-15/h1-7,10-11,14H,8-9,12-13H2,(H,22,24)(H,23,28)
InChIKeyUUDMCSUHERJTCU-UHFFFAOYSA-N
XLogP4.54
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24675443
N'-[2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 40674283
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46668060
2-[[2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 8542146
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
CID 51210249
5-cyclopropyl-N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 121030061
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 55863825
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55847075
N-(2-chloro-4-nitrophenyl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 60604550
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 17421626
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 8541815
5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 16605735

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 24675301) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(NCc2ccco2)s1)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UUDMCSUHERJTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S2/c28-19(13-30-21-25-24-20(31-21)22-12-16-7-4-10-29-16)23-18-11-17(14-8-9-14)26-27(18)15-5-2-1-3-6-15/h1-7,10-11,14H,8-9,12-13H2,(H,22,24)(H,23,28).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 452.57 g/mol, XLogP of 4.54, 9 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-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24675301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).