4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H14N2O2S2 — CID 141046498

IUPAC4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)CC2CSC(N)=N2)cc1
InChIInChI=1S/C11H14N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-5,9H,6-7H2,1H3,(H2,12,13)
InChIKeyIMMQEAPBMCXJKX-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.20
Rot. Bonds3

About 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine

4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 141046498) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID141046498
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)CC2CSC(N)=N2)cc1
InChIInChI=1S/C11H14N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-5,9H,6-7H2,1H3,(H2,12,13)
InChIKeyIMMQEAPBMCXJKX-UHFFFAOYSA-N
XLogP1.20
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4,5-dimethyl-2-[(4-methylphenyl)sulfonylmethyl]cyclohexyl]methylsulfonyl]-4-methylbenzene
CID 135305328
1-[[(1R)-2,2-dichlorocyclopropyl]methylsulfonyl]-4-methylbenzene
CID 748157
1-methyl-4-[[(1R,2R)-2-methylcyclohexyl]methylsulfonyl]benzene
CID 157322194
3-methyl-4-[(4-methylphenyl)sulfonylmethyl]oxolane
CID 10106376
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
1-methyl-4-[(2-methylidenecyclopentyl)methylsulfonyl]benzene
CID 13268798
(3S)-7-amino-3-[(4-tert-butylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51601618
(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323649
2-[(4-methylphenyl)sulfonylmethyl]pyrrolidine-1-carboxylic acid
CID 175772161
(5S)-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]pyrrolidin-2-one
CID 57001804
1-[[(1S,2R)-2-methoxycyclohexyl]methylsulfonyl]-4-methylbenzene
CID 11781005
(3S)-3-[(4-methylphenyl)sulfonylmethyl]piperidin-2-one
CID 160872668

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 141046498) is 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(S(=O)(=O)CC2CSC(N)=N2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IMMQEAPBMCXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-5,9H,6-7H2,1H3,(H2,12,13).
What are the key properties of 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 141046498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).