2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide

C12H19N3O2S2 — CID 82426484

IUPAC2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CS(=O)(=O)C2CCCCC2)nc1C
InChIInChI=1S/C12H19N3O2S2/c1-8-11(12(13)14)18-10(15-8)7-19(16,17)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H3,13,14)
InChIKeyOKFRLSCJZKJRLS-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.98
Rot. Bonds4

About 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide

2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide (PubChem CID 82426484) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide
PubChem CID82426484
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CS(=O)(=O)C2CCCCC2)nc1C
InChIInChI=1S/C12H19N3O2S2/c1-8-11(12(13)14)18-10(15-8)7-19(16,17)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H3,13,14)
InChIKeyOKFRLSCJZKJRLS-UHFFFAOYSA-N
XLogP1.98
TPSA96.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82426488
4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboximidamide
CID 82427514
2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427595
2-amino-4-methyl-1,3-thiazole-5-carboximidamide
CID 158488916
2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629344
4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide
CID 82440750
2-(cyclohexylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboximidamide
CID 82440707
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82425721
N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 82193873
2-cyclobutyl-5-(cyclobutylsulfonylmethyl)-1,3,4-thiadiazole
CID 167854338
4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide
CID 82436727
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide (CID 82426484) is 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CS(=O)(=O)C2CCCCC2)nc1C.
What is the InChIKey of 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide?
The InChIKey is OKFRLSCJZKJRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-8-11(12(13)14)18-10(15-8)7-19(16,17)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H3,13,14).
What are the key properties of 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide?
2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide has a molecular weight of 301.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82426484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).