cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide

C18H24N2O2S2 — CID 124803175

IUPACcis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
SMILESCO[C@@H]1CCC[C@H](C(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)C1
InChIInChI=1S/C18H24N2O2S2/c1-12-10-24-18(19-12)16(8-13-6-7-23-11-13)20-17(21)14-4-3-5-15(9-14)22-2/h6-7,10-11,14-16H,3-5,8-9H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1
InChIKeyORCVWIMZKJXNBL-ARFHVFGLSA-N
MW364.54 g/mol
LogP4.12
Rot. Bonds6

About cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide (PubChem CID 124803175) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
PubChem CID124803175
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Namecis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
SMILESCO[C@@H]1CCC[C@H](C(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)C1
InChIInChI=1S/C18H24N2O2S2/c1-12-10-24-18(19-12)16(8-13-6-7-23-11-13)20-17(21)14-4-3-5-15(9-14)22-2/h6-7,10-11,14-16H,3-5,8-9H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1
InChIKeyORCVWIMZKJXNBL-ARFHVFGLSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide (CID 124803175) is cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide is CO[C@@H]1CCC[C@H](C(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)C1.
What is the InChIKey of cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is ORCVWIMZKJXNBL-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-12-10-24-18(19-12)16(8-13-6-7-23-11-13)20-17(21)14-4-3-5-15(9-14)22-2/h6-7,10-11,14-16H,3-5,8-9H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1.
What are the key properties of cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 364.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124803175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).