4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide

C17H14ClN3O2S — CID 43811421

IUPAC4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
SMILESCOc1ccc(-c2nnc(N(C)C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-21(16(22)12-3-7-13(18)8-4-12)17-20-19-15(24-17)11-5-9-14(23-2)10-6-11/h3-10H,1-2H3
InChIKeyLBSLYRFRMYUNLH-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.14
Rot. Bonds4

About 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide

4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide (PubChem CID 43811421) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
PubChem CID43811421
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
SMILESCOc1ccc(-c2nnc(N(C)C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-21(16(22)12-3-7-13(18)8-4-12)17-20-19-15(24-17)11-5-9-14(23-2)10-6-11/h3-10H,1-2H3
InChIKeyLBSLYRFRMYUNLH-UHFFFAOYSA-N
XLogP4.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-N-methylbenzamide
CID 108764475
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylpyridine-2-carboxamide
CID 1451649
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4-difluoro-N-methylbenzamide
CID 108742083
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108741998
N-[2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-methylamino]-2-oxoethyl]-4-chlorobenzamide
CID 108764499
4-chloro-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4077557
methyl 3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-methylcarbamoyl]benzoate
CID 108742076
4-chloro-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 42757733
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 10150386
3-bromo-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108764498
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3,4-trifluoro-N-methylbenzamide
CID 108742002

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide (CID 43811421) is 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide is COc1ccc(-c2nnc(N(C)C(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide?
The InChIKey is LBSLYRFRMYUNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-21(16(22)12-3-7-13(18)8-4-12)17-20-19-15(24-17)11-5-9-14(23-2)10-6-11/h3-10H,1-2H3.
What are the key properties of 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide?
4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide has a molecular weight of 359.84 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 43811421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).