3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide

C18H15N3O2S — CID 3695224

IUPAC3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(C=Cc3ccccc3)s2)c1
InChIInChI=1S/C18H15N3O2S/c1-23-15-9-5-8-14(12-15)17(22)19-18-21-20-16(24-18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,19,21,22)
InChIKeyQEXXDQKBRQKSAQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.97
Rot. Bonds5

About 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide

3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3695224) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3695224
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(C=Cc3ccccc3)s2)c1
InChIInChI=1S/C18H15N3O2S/c1-23-15-9-5-8-14(12-15)17(22)19-18-21-20-16(24-18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,19,21,22)
InChIKeyQEXXDQKBRQKSAQ-UHFFFAOYSA-N
XLogP3.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 5289843
3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide
CID 24898477
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 872286
3,4,5-trimethoxy-N-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 118707005
2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid
CID 70119566
N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 3591989
3-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907447
(E)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 744042
3-methoxy-N-[5-[(E)-thiophen-2-ylmethylideneamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 45022491
3-methoxy-N-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1216397
N-[2-[5-[(4-benzamidobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193834
3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247160

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3695224) is 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1cccc(C(=O)Nc2nnc(C=Cc3ccccc3)s2)c1.
What is the InChIKey of 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is QEXXDQKBRQKSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-23-15-9-5-8-14(12-15)17(22)19-18-21-20-16(24-18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,19,21,22).
What are the key properties of 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 337.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3695224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).