N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide

C18H23N3O3S — CID 13234330

IUPACN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(CC2CCCCC2)s1
InChIInChI=1S/C18H23N3O3S/c1-23-13-9-6-10-14(24-2)16(13)17(22)19-18-21-20-15(25-18)11-12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,19,21,22)
InChIKeyDDEAYDXDZXPNFG-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.93
Rot. Bonds6

About N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide

N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide (PubChem CID 13234330) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
PubChem CID13234330
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(CC2CCCCC2)s1
InChIInChI=1S/C18H23N3O3S/c1-23-13-9-6-10-14(24-2)16(13)17(22)19-18-21-20-15(25-18)11-12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,19,21,22)
InChIKeyDDEAYDXDZXPNFG-UHFFFAOYSA-N
XLogP3.93
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide
CID 167809370
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
2,6-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17320202
2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13239351
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
CID 4145587
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
2-[[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid
CID 174636227
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
CID 55792414
2,6-dimethoxy-N-[5-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234326
N-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 12881517

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide (CID 13234330) is N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1nnc(CC2CCCCC2)s1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide?
The InChIKey is DDEAYDXDZXPNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-23-13-9-6-10-14(24-2)16(13)17(22)19-18-21-20-15(25-18)11-12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide?
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide has a molecular weight of 361.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 13234330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).