N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

C14H22N4O2S2 — CID 1470430

IUPACN-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
InChIInChI=1S/C14H22N4O2S2/c1-14(2,3)11(20)16-12-17-18-13(22-12)21-8-10(19)15-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeyCGPIQUHDRPWDIJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.67
Rot. Bonds5

About N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 1470430) has the molecular formula C14H22N4O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID1470430
Molecular FormulaC14H22N4O2S2
Molecular Weight342.49 g/mol
Exact Mass342.12
IUPAC NameN-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
InChIInChI=1S/C14H22N4O2S2/c1-14(2,3)11(20)16-12-17-18-13(22-12)21-8-10(19)15-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeyCGPIQUHDRPWDIJ-UHFFFAOYSA-N
XLogP2.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 673899
N-[5-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1084779
2-(5-Acetylamino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1462703
N-(5-Cyclohexylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-3,3-dimethyl-butyramide
CID 1470458
N-(5-((2-(diisopropylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 655699
N-(5-((2-(cyclopentylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 8482338
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1462684
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 1462705
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 1470429
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-3,3-dimethyl-butyramide
CID 1470440
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 1470519
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2-methyl-butyramide
CID 3220425

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (CID 1470430) is N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1.
What is the InChIKey of N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is CGPIQUHDRPWDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S2/c1-14(2,3)11(20)16-12-17-18-13(22-12)21-8-10(19)15-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,19)(H,16,17,20).
What are the key properties of N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 342.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 1470430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).