6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C19H27N3O4S — CID 169421088

IUPAC6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NC2CCC(C(=O)NC(C)c3nc(C)cs3)CC2)OCCO1
InChIInChI=1S/C19H27N3O4S/c1-11-10-27-19(20-11)12(2)21-17(23)14-4-6-15(7-5-14)22-18(24)16-13(3)25-8-9-26-16/h10,12,14-15H,4-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySOWUZJLTPSHCDL-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.58
Rot. Bonds5

About 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 169421088) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID169421088
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NC2CCC(C(=O)NC(C)c3nc(C)cs3)CC2)OCCO1
InChIInChI=1S/C19H27N3O4S/c1-11-10-27-19(20-11)12(2)21-17(23)14-4-6-15(7-5-14)22-18(24)16-13(3)25-8-9-26-16/h10,12,14-15H,4-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySOWUZJLTPSHCDL-UHFFFAOYSA-N
XLogP2.58
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 169421088) is 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1=C(C(=O)NC2CCC(C(=O)NC(C)c3nc(C)cs3)CC2)OCCO1.
What is the InChIKey of 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is SOWUZJLTPSHCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-11-10-27-19(20-11)12(2)21-17(23)14-4-6-15(7-5-14)22-18(24)16-13(3)25-8-9-26-16/h10,12,14-15H,4-9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 169421088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).