(2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C14H24N4OS2 — CID 40668786

IUPAC(2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(C(=O)[C@H](C)Sc1nnc(NC)s1)C1CCCCC1
InChIInChI=1S/C14H24N4OS2/c1-4-18(11-8-6-5-7-9-11)12(19)10(2)20-14-17-16-13(15-3)21-14/h10-11H,4-9H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyVNZNFTHFJQUEIT-JTQLQIEISA-N
MW328.51 g/mol
LogP3.24
Rot. Bonds6

About (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 40668786) has the molecular formula C14H24N4OS2 and a molecular weight of 328.51 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID40668786
Molecular FormulaC14H24N4OS2
Molecular Weight328.51 g/mol
Exact Mass328.14
IUPAC Name(2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(C(=O)[C@H](C)Sc1nnc(NC)s1)C1CCCCC1
InChIInChI=1S/C14H24N4OS2/c1-4-18(11-8-6-5-7-9-11)12(19)10(2)20-14-17-16-13(15-3)21-14/h10-11H,4-9H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyVNZNFTHFJQUEIT-JTQLQIEISA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

(2R)-N-cyclopentyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 40810925
N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide
CID 78874136
(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635405
(2R)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635419
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562953
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
N-cyclohexyl-N-ethyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17482680
N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615120
(2S)-N,N-dimethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9378732
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
CID 18130864
N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78762984
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide
CID 51339511

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 40668786) is (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CCN(C(=O)[C@H](C)Sc1nnc(NC)s1)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is VNZNFTHFJQUEIT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4OS2/c1-4-18(11-8-6-5-7-9-11)12(19)10(2)20-14-17-16-13(15-3)21-14/h10-11H,4-9H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
(2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 328.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 40668786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).