2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol

C20H17N5O3S3 — CID 143708575

IUPAC2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
SMILESO=S(=O)(c1ccc(C2=CSNN2)s1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C20H17N5O3S3/c26-18-6-2-1-5-14(18)17-10-15(13-4-3-9-21-11-13)23-25(17)31(27,28)20-8-7-19(30-20)16-12-29-24-22-16/h1-9,11-12,17,22,24,26H,10H2
InChIKeyBPUVCDJHWJBIMJ-UHFFFAOYSA-N
MW471.59 g/mol
LogP3.44
Rot. Bonds5

About 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol

2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 143708575) has the molecular formula C20H17N5O3S3 and a molecular weight of 471.59 g/mol. Its IUPAC name is 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
PubChem CID143708575
Molecular FormulaC20H17N5O3S3
Molecular Weight471.59 g/mol
Exact Mass471.05
IUPAC Name2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
SMILESO=S(=O)(c1ccc(C2=CSNN2)s1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C20H17N5O3S3/c26-18-6-2-1-5-14(18)17-10-15(13-4-3-9-21-11-13)23-25(17)31(27,28)20-8-7-19(30-20)16-12-29-24-22-16/h1-9,11-12,17,22,24,26H,10H2
InChIKeyBPUVCDJHWJBIMJ-UHFFFAOYSA-N
XLogP3.44
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-Pyridin-3-yl-2-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-3,4-dihydropyrazol-3-yl]phenol
CID 54584106
2-[2-(Benzenesulfonyl)-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
CID 6463732
2-(2-Pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol
CID 126479815
2-[2-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
CID 24965365
2-[5-Pyridin-3-yl-2-[5-(thiadiazol-4-yl)thiophen-2-yl]sulfonyl-3,4-dihydropyrazol-3-yl]phenol
CID 59463112
2-{3-pyridin-3-yl-1-[(5-pyridin-2-yl-2-thienyl)sulfonyl]-4,5-dihydro-1H-pyrazol-5-yl}phenol
CID 59463114
N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463416
N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide
CID 71257730
2-[5-(5-Amino-3-pyridinyl)-2-[1-(5-pyridin-2-ylthiophen-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]phenol
CID 89256918
2-[2-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol
CID 91034236
2-[5-Pyridin-3-yl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,3-dihydropyrazol-3-yl]phenol
CID 91548786
2-[5-Pyridin-3-yl-2-[5-(thiadiazol-4-yl)thiophen-2-yl]sulfonyl-1,3-dihydropyrazol-3-yl]phenol
CID 91555805

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol (CID 143708575) is 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol is O=S(=O)(c1ccc(C2=CSNN2)s1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is BPUVCDJHWJBIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S3/c26-18-6-2-1-5-14(18)17-10-15(13-4-3-9-21-11-13)23-25(17)31(27,28)20-8-7-19(30-20)16-12-29-24-22-16/h1-9,11-12,17,22,24,26H,10H2.
What are the key properties of 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol?
2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 471.59 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2,3-dihydrothiadiazol-4-yl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 143708575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).