N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide

C13H20N4O2S — CID 943323

IUPACN-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)NC2CC2)s1
InChIInChI=1S/C13H20N4O2S/c1-8(2)7-12-16-17-13(20-12)15-11(19)6-5-10(18)14-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyUNATYOBGRDFSKY-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.73
Rot. Bonds7

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

N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide (PubChem CID 943323) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
PubChem CID943323
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)NC2CC2)s1
InChIInChI=1S/C13H20N4O2S/c1-8(2)7-12-16-17-13(20-12)15-11(19)6-5-10(18)14-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyUNATYOBGRDFSKY-UHFFFAOYSA-N
XLogP1.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.73
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
1-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2985033
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-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
N-cyclopropyl-N'-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 945676
1-cyclopentyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497395
1-cyclopentyl-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 6497396

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The IUPAC name of N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide (CID 943323) is N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide.
What is the SMILES notation for N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The canonical SMILES for N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide is CC(C)Cc1nnc(NC(=O)CCC(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The InChIKey is UNATYOBGRDFSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8(2)7-12-16-17-13(20-12)15-11(19)6-5-10(18)14-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide?
N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide has a molecular weight of 296.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide is sourced from PubChem (CID 943323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).