N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C15H24N4OS2 — CID 94458841

IUPACN-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(N2CCCC2)s1
InChIInChI=1S/C15H24N4OS2/c1-11-6-2-3-7-12(11)16-13(20)10-21-15-18-17-14(22-15)19-8-4-5-9-19/h11-12H,2-10H2,1H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyOCZYSFMOHCIBHQ-NEPJUHHUSA-N
MW340.52 g/mol
LogP2.93
Rot. Bonds5

About N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 94458841) has the molecular formula C15H24N4OS2 and a molecular weight of 340.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID94458841
Molecular FormulaC15H24N4OS2
Molecular Weight340.52 g/mol
Exact Mass340.14
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(N2CCCC2)s1
InChIInChI=1S/C15H24N4OS2/c1-11-6-2-3-7-12(11)16-13(20)10-21-15-18-17-14(22-15)19-8-4-5-9-19/h11-12H,2-10H2,1H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyOCZYSFMOHCIBHQ-NEPJUHHUSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 978287
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 978286
N-methyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47365036
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2696034
N-cyclopropyl-N-[5-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 8783322
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2696032
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7474484
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 11906405
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11924446
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7754109
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 4286808
N-(2-methyl-4-oxopentan-3-yl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 86827419

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 94458841) is N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(N2CCCC2)s1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OCZYSFMOHCIBHQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N4OS2/c1-11-6-2-3-7-12(11)16-13(20)10-21-15-18-17-14(22-15)19-8-4-5-9-19/h11-12H,2-10H2,1H3,(H,16,20)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 340.52 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 94458841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).