N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide

C17H25N3O3S3 — CID 100578068

IUPACN-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1nc(/C=C2/SCCN2C(=O)CN(C2CCCCC2)S(C)(=O)=O)cs1
InChIInChI=1S/C17H25N3O3S3/c1-13-18-14(12-25-13)10-17-19(8-9-24-17)16(21)11-20(26(2,22)23)15-6-4-3-5-7-15/h10,12,15H,3-9,11H2,1-2H3/b17-10+
InChIKeyDVWXFUWFQGONBR-LICLKQGHSA-N
MW415.61 g/mol
LogP2.92
Rot. Bonds5

About N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide

N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 100578068) has the molecular formula C17H25N3O3S3 and a molecular weight of 415.61 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide
PubChem CID100578068
Molecular FormulaC17H25N3O3S3
Molecular Weight415.61 g/mol
Exact Mass415.11
IUPAC NameN-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1nc(/C=C2/SCCN2C(=O)CN(C2CCCCC2)S(C)(=O)=O)cs1
InChIInChI=1S/C17H25N3O3S3/c1-13-18-14(12-25-13)10-17-19(8-9-24-17)16(21)11-20(26(2,22)23)15-6-4-3-5-7-15/h10,12,15H,3-9,11H2,1-2H3/b17-10+
InChIKeyDVWXFUWFQGONBR-LICLKQGHSA-N
XLogP2.92
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide (CID 100578068) is N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide is Cc1nc(/C=C2/SCCN2C(=O)CN(C2CCCCC2)S(C)(=O)=O)cs1.
What is the InChIKey of N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is DVWXFUWFQGONBR-LICLKQGHSA-N. The full InChI is InChI=1S/C17H25N3O3S3/c1-13-18-14(12-25-13)10-17-19(8-9-24-17)16(21)11-20(26(2,22)23)15-6-4-3-5-7-15/h10,12,15H,3-9,11H2,1-2H3/b17-10+.
What are the key properties of N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide?
N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 415.61 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 100578068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).