(2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C11H18N4OS2 — CID 7831157

IUPAC(2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(NC2CCCCC2)s1)C(N)=O
InChIInChI=1S/C11H18N4OS2/c1-7(9(12)16)17-11-15-14-10(18-11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,16)(H,13,14)/t7-/m0/s1
InChIKeyXKBNQRYQWOYURU-ZETCQYMHSA-N
MW286.43 g/mol
LogP2.25
Rot. Bonds5

About (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7831157) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID7831157
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC Name(2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(NC2CCCCC2)s1)C(N)=O
InChIInChI=1S/C11H18N4OS2/c1-7(9(12)16)17-11-15-14-10(18-11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,16)(H,13,14)/t7-/m0/s1
InChIKeyXKBNQRYQWOYURU-ZETCQYMHSA-N
XLogP2.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 7831157) is (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is C[C@H](Sc1nnc(NC2CCCCC2)s1)C(N)=O.
What is the InChIKey of (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is XKBNQRYQWOYURU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-7(9(12)16)17-11-15-14-10(18-11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,16)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
(2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 286.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7831157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).