N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide

C17H23N3OS — CID 9344816

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(C(C)C)cc2C(C)C)s1
InChIInChI=1S/C17H23N3OS/c1-6-15-19-20-17(22-15)18-16(21)13-8-7-12(10(2)3)9-14(13)11(4)5/h7-11H,6H2,1-5H3,(H,18,20,21)
InChIKeyBIYUJHYULYQLIK-UHFFFAOYSA-N
MW317.46 g/mol
LogP4.60
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide (PubChem CID 9344816) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide
PubChem CID9344816
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(C(C)C)cc2C(C)C)s1
InChIInChI=1S/C17H23N3OS/c1-6-15-19-20-17(22-15)18-16(21)13-8-7-12(10(2)3)9-14(13)11(4)5/h7-11H,6H2,1-5H3,(H,18,20,21)
InChIKeyBIYUJHYULYQLIK-UHFFFAOYSA-N
XLogP4.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 54787300
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylbutanoylamino)benzamide
CID 17311855
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid
CID 19029540
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 107641297
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312168
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 5168739
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide (CID 9344816) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(C(C)C)cc2C(C)C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide?
The InChIKey is BIYUJHYULYQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-6-15-19-20-17(22-15)18-16(21)13-8-7-12(10(2)3)9-14(13)11(4)5/h7-11H,6H2,1-5H3,(H,18,20,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide has a molecular weight of 317.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide is sourced from PubChem (CID 9344816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).