5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine

C11H11ClN2O2S2 — CID 7424870

IUPAC5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
SMILESCNc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-7-3-5-8(6-4-7)18(15,16)10-9(12)17-11(13-2)14-10/h3-6H,1-2H3,(H,13,14)
InChIKeyYGOWWPMFYZVFJK-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.98
Rot. Bonds3

About 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine

5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 7424870) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
PubChem CID7424870
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
SMILESCNc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-7-3-5-8(6-4-7)18(15,16)10-9(12)17-11(13-2)14-10/h3-6H,1-2H3,(H,13,14)
InChIKeyYGOWWPMFYZVFJK-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 11337935
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 45495724
5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
CID 45099975
5-chloro-4-(4-methylphenyl)sulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2358924
[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl] 4-chlorobenzoate
CID 51602906
N-benzyl-5-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 135000474
5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 2107753
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 2107752
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
CID 2321668

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine (CID 7424870) is 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine is CNc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is YGOWWPMFYZVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-7-3-5-8(6-4-7)18(15,16)10-9(12)17-11(13-2)14-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 302.81 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 7424870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).