(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide

C11H20N4OS2 — CID 26757236

IUPAC(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](C)Sc1nnc(N)s1)C(C)C
InChIInChI=1S/C11H20N4OS2/c1-6(2)15(7(3)4)9(16)8(5)17-11-14-13-10(12)18-11/h6-8H,1-5H3,(H2,12,13)/t8-/m0/s1
InChIKeyWJMVDWDWSVLHIB-QMMMGPOBSA-N
MW288.44 g/mol
LogP2.25
Rot. Bonds5

About (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide

(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide (PubChem CID 26757236) has the molecular formula C11H20N4OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
PubChem CID26757236
Molecular FormulaC11H20N4OS2
Molecular Weight288.44 g/mol
Exact Mass288.11
IUPAC Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](C)Sc1nnc(N)s1)C(C)C
InChIInChI=1S/C11H20N4OS2/c1-6(2)15(7(3)4)9(16)8(5)17-11-14-13-10(12)18-11/h6-8H,1-5H3,(H2,12,13)/t8-/m0/s1
InChIKeyWJMVDWDWSVLHIB-QMMMGPOBSA-N
XLogP2.25
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide (CID 26757236) is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@H](C)Sc1nnc(N)s1)C(C)C.
What is the InChIKey of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide?
The InChIKey is WJMVDWDWSVLHIB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N4OS2/c1-6(2)15(7(3)4)9(16)8(5)17-11-14-13-10(12)18-11/h6-8H,1-5H3,(H2,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide?
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 26757236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).