N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C16H19N5O2S — CID 17464567

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2nnc(C)s2)c2ccccc21
InChIInChI=1S/C16H19N5O2S/c1-3-9-20-12-6-4-5-7-13(12)21(16(20)23)10-8-14(22)17-15-19-18-11(2)24-15/h4-7H,3,8-10H2,1-2H3,(H,17,19,22)
InChIKeyOWPCXOGVOPELRK-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.40
Rot. Bonds6

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 17464567) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID17464567
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2nnc(C)s2)c2ccccc21
InChIInChI=1S/C16H19N5O2S/c1-3-9-20-12-6-4-5-7-13(12)21(16(20)23)10-8-14(22)17-15-19-18-11(2)24-15/h4-7H,3,8-10H2,1-2H3,(H,17,19,22)
InChIKeyOWPCXOGVOPELRK-UHFFFAOYSA-N
XLogP2.40
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16594440
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17452434
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55907017
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593015
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 24524945
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304
2-(2-methylindol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17460159
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 111331415

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 17464567) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2nnc(C)s2)c2ccccc21.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is OWPCXOGVOPELRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-3-9-20-12-6-4-5-7-13(12)21(16(20)23)10-8-14(22)17-15-19-18-11(2)24-15/h4-7H,3,8-10H2,1-2H3,(H,17,19,22).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 345.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 17464567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).