5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole

C17H20ClN3O3S — CID 36842734

IUPAC5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
SMILESCOc1cc(OC)c(C2=CCN(Cc3nnsc3Cl)CC2)c(OC)c1
InChIInChI=1S/C17H20ClN3O3S/c1-22-12-8-14(23-2)16(15(9-12)24-3)11-4-6-21(7-5-11)10-13-17(18)25-20-19-13/h4,8-9H,5-7,10H2,1-3H3
InChIKeyPZXRTLNYXMWWCI-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.51
Rot. Bonds6

About 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole (PubChem CID 36842734) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
PubChem CID36842734
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
SMILESCOc1cc(OC)c(C2=CCN(Cc3nnsc3Cl)CC2)c(OC)c1
InChIInChI=1S/C17H20ClN3O3S/c1-22-12-8-14(23-2)16(15(9-12)24-3)11-4-6-21(7-5-11)10-13-17(18)25-20-19-13/h4,8-9H,5-7,10H2,1-3H3
InChIKeyPZXRTLNYXMWWCI-UHFFFAOYSA-N
XLogP3.51
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole with MolForge

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Related Compounds

5-chloro-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
CID 39975216
5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839160
1-(2,4-dimethylphenoxy)-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
CID 42928028
(2-chlorocyclohexen-1-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71899480
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 17451041
4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]quinazoline
CID 24573175
(2,5-dichlorophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264956
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 46671883
4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine
CID 31537150
(4S)-2-[(5-chlorothiadiazol-4-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 94016866
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33266272
ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate
CID 31537153

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole (CID 36842734) is 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole is COc1cc(OC)c(C2=CCN(Cc3nnsc3Cl)CC2)c(OC)c1.
What is the InChIKey of 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole?
The InChIKey is PZXRTLNYXMWWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-22-12-8-14(23-2)16(15(9-12)24-3)11-4-6-21(7-5-11)10-13-17(18)25-20-19-13/h4,8-9H,5-7,10H2,1-3H3.
What are the key properties of 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole has a molecular weight of 381.89 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 36842734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).