2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole

C22H18N2OS — CID 51370258

IUPAC2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(C(c3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C22H18N2OS/c1-25-19-14-12-18(13-15-19)21-23-24-22(26-21)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3
InChIKeyFWLXBOYEUYUPSO-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.39
Rot. Bonds5

About 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole

2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole (PubChem CID 51370258) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
PubChem CID51370258
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(C(c3ccccc3)c3ccccc3)s2)cc1
InChIInChI=1S/C22H18N2OS/c1-25-19-14-12-18(13-15-19)21-23-24-22(26-21)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3
InChIKeyFWLXBOYEUYUPSO-UHFFFAOYSA-N
XLogP5.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 562782
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 56973796
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
[2-[amino-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl] carbamate
CID 175271697
2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 10854032
2-[(2,2-diphenylacetyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 3594336
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
CID 177007601
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1,2-benzothiazole
CID 10426481
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 11561470

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole (CID 51370258) is 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole is COc1ccc(-c2nnc(C(c3ccccc3)c3ccccc3)s2)cc1.
What is the InChIKey of 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The InChIKey is FWLXBOYEUYUPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-25-19-14-12-18(13-15-19)21-23-24-22(26-21)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3.
What are the key properties of 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole has a molecular weight of 358.47 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 51370258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).