N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C15H26N4OS2 — CID 24980815

IUPACN-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(C)Nc1nnc(SC(C)C(=O)N(C)C2CCCCC2)s1
InChIInChI=1S/C15H26N4OS2/c1-10(2)16-14-17-18-15(22-14)21-11(3)13(20)19(4)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyFSSKPHMUESZOBX-UHFFFAOYSA-N
MW342.53 g/mol
LogP3.63
Rot. Bonds6

About N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 24980815) has the molecular formula C15H26N4OS2 and a molecular weight of 342.53 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID24980815
Molecular FormulaC15H26N4OS2
Molecular Weight342.53 g/mol
Exact Mass342.15
IUPAC NameN-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(C)Nc1nnc(SC(C)C(=O)N(C)C2CCCCC2)s1
InChIInChI=1S/C15H26N4OS2/c1-10(2)16-14-17-18-15(22-14)21-11(3)13(20)19(4)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyFSSKPHMUESZOBX-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 24980815) is N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CC(C)Nc1nnc(SC(C)C(=O)N(C)C2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is FSSKPHMUESZOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS2/c1-10(2)16-14-17-18-15(22-14)21-11(3)13(20)19(4)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 342.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 24980815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).