N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide

C14H22N4O2S — CID 56755534

IUPACN'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide
SMILESCN(C(=O)CCC(=O)Nc1nncs1)C1CCCCCC1
InChIInChI=1S/C14H22N4O2S/c1-18(11-6-4-2-3-5-7-11)13(20)9-8-12(19)16-14-17-15-10-21-14/h10-11H,2-9H2,1H3,(H,16,17,19)
InChIKeyMEMNCKGDJPZEKL-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.44
Rot. Bonds5

About N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide

N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 56755534) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID56755534
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide
SMILESCN(C(=O)CCC(=O)Nc1nncs1)C1CCCCCC1
InChIInChI=1S/C14H22N4O2S/c1-18(11-6-4-2-3-5-7-11)13(20)9-8-12(19)16-14-17-15-10-21-14/h10-11H,2-9H2,1H3,(H,16,17,19)
InChIKeyMEMNCKGDJPZEKL-UHFFFAOYSA-N
XLogP2.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide (CID 56755534) is N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide is CN(C(=O)CCC(=O)Nc1nncs1)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is MEMNCKGDJPZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-18(11-6-4-2-3-5-7-11)13(20)9-8-12(19)16-14-17-15-10-21-14/h10-11H,2-9H2,1H3,(H,16,17,19).
What are the key properties of N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide?
N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 310.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 56755534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).