2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

C19H27N3OS — CID 13229314

IUPAC2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCc1cccc(CC)c1C(=O)Nc1nnc(C(C)(CC)CC)s1
InChIInChI=1S/C19H27N3OS/c1-6-13-11-10-12-14(7-2)15(13)16(23)20-18-22-21-17(24-18)19(5,8-3)9-4/h10-12H,6-9H2,1-5H3,(H,20,22,23)
InChIKeyBSTUSPLXZHDHQI-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.99
Rot. Bonds7

About 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 13229314) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID13229314
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCc1cccc(CC)c1C(=O)Nc1nnc(C(C)(CC)CC)s1
InChIInChI=1S/C19H27N3OS/c1-6-13-11-10-12-14(7-2)15(13)16(23)20-18-22-21-17(24-18)19(5,8-3)9-4/h10-12H,6-9H2,1-5H3,(H,20,22,23)
InChIKeyBSTUSPLXZHDHQI-UHFFFAOYSA-N
XLogP4.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13239351
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide
CID 47374727
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234327
2,6-dimethoxy-N-[5-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234326
2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320230
[4-[[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl] acetate
CID 17320140
2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
CID 113250709
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate
CID 19911975
2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319637
3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4563108

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 13229314) is 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide is CCc1cccc(CC)c1C(=O)Nc1nnc(C(C)(CC)CC)s1.
What is the InChIKey of 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is BSTUSPLXZHDHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-6-13-11-10-12-14(7-2)15(13)16(23)20-18-22-21-17(24-18)19(5,8-3)9-4/h10-12H,6-9H2,1-5H3,(H,20,22,23).
What are the key properties of 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 345.51 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 13229314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).