2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

C13H21N3O2S2 — CID 128837526

IUPAC2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCN1CCN(Cc2nc(C3CCCCC3)cs2)S1(=O)=O
InChIInChI=1S/C13H21N3O2S2/c1-15-7-8-16(20(15,17)18)9-13-14-12(10-19-13)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeySBJHTHMWKSCPFY-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.18
Rot. Bonds3

About 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 128837526) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID128837526
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCN1CCN(Cc2nc(C3CCCCC3)cs2)S1(=O)=O
InChIInChI=1S/C13H21N3O2S2/c1-15-7-8-16(20(15,17)18)9-13-14-12(10-19-13)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeySBJHTHMWKSCPFY-UHFFFAOYSA-N
XLogP2.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide with MolForge

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Related Compounds

4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 21392466
3-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(methylamino)propanoic acid
CID 116969836
4-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116968995
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116964946
3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine
CID 138033328
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
CID 116868749
5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine
CID 116968277
2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one
CID 127265469
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 128837526) is 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is CN1CCN(Cc2nc(C3CCCCC3)cs2)S1(=O)=O.
What is the InChIKey of 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is SBJHTHMWKSCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-15-7-8-16(20(15,17)18)9-13-14-12(10-19-13)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 315.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 128837526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).