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

C16H26N4O2S2 — CID 1470458

IUPACN-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H26N4O2S2/c1-16(2,3)9-12(21)18-14-19-20-15(24-14)23-10-13(22)17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,17,22)(H,18,19,21)
InChIKeyYGUISVNYHSQCTL-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.45
Rot. Bonds6

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

N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 1470458) has the molecular formula C16H26N4O2S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
PubChem CID1470458
Molecular FormulaC16H26N4O2S2
Molecular Weight370.54 g/mol
Exact Mass370.15
IUPAC NameN-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H26N4O2S2/c1-16(2,3)9-12(21)18-14-19-20-15(24-14)23-10-13(22)17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,17,22)(H,18,19,21)
InChIKeyYGUISVNYHSQCTL-UHFFFAOYSA-N
XLogP3.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.45
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'}

Analyze N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

N-[5-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1084779
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)-2,2-dimethyl-propionamide
CID 1470430
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
Pentanoic acid (5-cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-amide
CID 3220528
N-(5-Cyclohexylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1470450

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide (CID 1470458) is N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1.
What is the InChIKey of N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is YGUISVNYHSQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S2/c1-16(2,3)9-12(21)18-14-19-20-15(24-14)23-10-13(22)17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,17,22)(H,18,19,21).
What are the key properties of N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide?
N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 370.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 1470458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).