N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

C18H20N6OS2 — CID 118444063

IUPACN-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESCc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1
InChIInChI=1S/C18H20N6OS2/c1-11-21-22-16(26-11)12-5-4-6-13(9-12)17-23-24-18(27-17)20-15(25)10-14-7-2-3-8-19-14/h2-3,7-8,12-13H,4-6,9-10H2,1H3,(H,20,24,25)/t12-,13-/m0/s1
InChIKeyKPEZZUOLPFVLPY-STQMWFEESA-N
MW400.53 g/mol
LogP3.72
Rot. Bonds5

About N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 118444063) has the molecular formula C18H20N6OS2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
PubChem CID118444063
Molecular FormulaC18H20N6OS2
Molecular Weight400.53 g/mol
Exact Mass400.11
IUPAC NameN-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESCc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1
InChIInChI=1S/C18H20N6OS2/c1-11-21-22-16(26-11)12-5-4-6-13(9-12)17-23-24-18(27-17)20-15(25)10-14-7-2-3-8-19-14/h2-3,7-8,12-13H,4-6,9-10H2,1H3,(H,20,24,25)/t12-,13-/m0/s1
InChIKeyKPEZZUOLPFVLPY-STQMWFEESA-N
XLogP3.72
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (CID 118444063) is N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is Cc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.
What is the InChIKey of N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?
The InChIKey is KPEZZUOLPFVLPY-STQMWFEESA-N. The full InChI is InChI=1S/C18H20N6OS2/c1-11-21-22-16(26-11)12-5-4-6-13(9-12)17-23-24-18(27-17)20-15(25)10-14-7-2-3-8-19-14/h2-3,7-8,12-13H,4-6,9-10H2,1H3,(H,20,24,25)/t12-,13-/m0/s1.
What are the key properties of N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?
N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 400.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 118444063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).