N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

C11H16N4O2S — CID 945676

IUPACN-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NC2CC2)s1
InChIInChI=1S/C11H16N4O2S/c1-2-10-14-15-11(18-10)13-9(17)6-5-8(16)12-7-3-4-7/h7H,2-6H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyYOLCDCBGOGGSST-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.10
Rot. Bonds6

About N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 945676) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID945676
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NC2CC2)s1
InChIInChI=1S/C11H16N4O2S/c1-2-10-14-15-11(18-10)13-9(17)6-5-8(16)12-7-3-4-7/h7H,2-6H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyYOLCDCBGOGGSST-UHFFFAOYSA-N
XLogP1.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 939105
N1-cyclopropyl-N4-(5-propyl-1,3,4-thiadiazol-2-yl)succinamide
CID 940989
N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 941794
N-cyclopropyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 943323
4-oxo-4-(piperidin-1-yl)-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 945634
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1120943
N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 944624
N-Cyclooctyl-N'-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1602787
N-cyclooctyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1624671
N-cyclopropyl-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 939643
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 663753
N-cyclopentyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 942243

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 945676) is N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is CCc1nnc(NC(=O)CCC(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is YOLCDCBGOGGSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-10-14-15-11(18-10)13-9(17)6-5-8(16)12-7-3-4-7/h7H,2-6H2,1H3,(H,12,16)(H,13,15,17).
What are the key properties of N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 268.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 945676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).