N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

C18H23N5O2S — CID 55907017

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2nnc(C(C)(C)C)s2)c2ccccc21
InChIInChI=1S/C18H23N5O2S/c1-5-22-12-8-6-7-9-13(12)23(17(22)25)11-10-14(24)19-16-21-20-15(26-16)18(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,19,21,24)
InChIKeyCPBKIPXOEKLQPN-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.00
Rot. Bonds5

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 55907017) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID55907017
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2nnc(C(C)(C)C)s2)c2ccccc21
InChIInChI=1S/C18H23N5O2S/c1-5-22-12-8-6-7-9-13(12)23(17(22)25)11-10-14(24)19-16-21-20-15(26-16)18(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,19,21,24)
InChIKeyCPBKIPXOEKLQPN-UHFFFAOYSA-N
XLogP3.00
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17452434
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 17464567
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16594440
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45493521
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593015
N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
CID 2005532
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 45491632
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55642616
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24555100

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 55907017) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCn1c(=O)n(CCC(=O)Nc2nnc(C(C)(C)C)s2)c2ccccc21.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is CPBKIPXOEKLQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-5-22-12-8-6-7-9-13(12)23(17(22)25)11-10-14(24)19-16-21-20-15(26-16)18(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,19,21,24).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 373.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 55907017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).