N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine

C17H22N2O3S2 — CID 133405929

IUPACN-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)CC1(CNc2nc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C17H22N2O3S2/c1-24(20,21)13-17(7-9-22-10-8-17)12-18-16-19-15(11-23-16)14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,18,19)
InChIKeyYIGJPDLLMYAGBA-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.06
Rot. Bonds6

About N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine

N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 133405929) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID133405929
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)CC1(CNc2nc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C17H22N2O3S2/c1-24(20,21)13-17(7-9-22-10-8-17)12-18-16-19-15(11-23-16)14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,18,19)
InChIKeyYIGJPDLLMYAGBA-UHFFFAOYSA-N
XLogP3.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133399967
1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 133447637
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
CID 122560367
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine
CID 133390475
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-2-amine
CID 133405841
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
5-bromo-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-3-amine
CID 133405812
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546
2-(dimethylsulfamoylamino)-4-phenyl-1,3-thiazole
CID 18870688

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine (CID 133405929) is N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine is CS(=O)(=O)CC1(CNc2nc(-c3ccccc3)cs2)CCOCC1.
What is the InChIKey of N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is YIGJPDLLMYAGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-24(20,21)13-17(7-9-22-10-8-17)12-18-16-19-15(11-23-16)14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,18,19).
What are the key properties of N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine?
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 366.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133405929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).