N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide

C18H23N3O3S — CID 29411913

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OCCC
InChIInChI=1S/C18H23N3O3S/c1-3-9-23-14-8-7-13(11-15(14)24-10-4-2)16(22)19-18-21-20-17(25-18)12-5-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,21,22)
InChIKeyIFVCMRRLDMOSMD-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.25
Rot. Bonds9

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide (PubChem CID 29411913) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
PubChem CID29411913
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OCCC
InChIInChI=1S/C18H23N3O3S/c1-3-9-23-14-8-7-13(11-15(14)24-10-4-2)16(22)19-18-21-20-17(25-18)12-5-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,21,22)
InChIKeyIFVCMRRLDMOSMD-UHFFFAOYSA-N
XLogP4.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide
CID 24647549
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 735968
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 18141584
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
CID 78859395
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
4-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 29411788

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide (CID 29411913) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OCCC.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide?
The InChIKey is IFVCMRRLDMOSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-9-23-14-8-7-13(11-15(14)24-10-4-2)16(22)19-18-21-20-17(25-18)12-5-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,21,22).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide has a molecular weight of 361.47 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide is sourced from PubChem (CID 29411913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).