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

C17H15ClN2O2S2 — CID 11337935

IUPAC5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1
InChIInChI=1S/C17H15ClN2O2S2/c1-11-3-7-13(8-4-11)19-17-20-16(15(18)23-17)24(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20)
InChIKeyMOBQRNLTUPAGOI-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.99
Rot. Bonds4

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

5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 11337935) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
PubChem CID11337935
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1
InChIInChI=1S/C17H15ClN2O2S2/c1-11-3-7-13(8-4-11)19-17-20-16(15(18)23-17)24(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20)
InChIKeyMOBQRNLTUPAGOI-UHFFFAOYSA-N
XLogP4.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 7424870
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 45495724
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-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
CID 45099975
5-chloro-4-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
CID 2321668
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 79126584
[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl] 4-chlorobenzoate
CID 51602906
2-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-2-(triphenyl-λ5-phosphanylidene)acetonitrile
CID 56730312
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
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825657

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine (CID 11337935) is 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is MOBQRNLTUPAGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c1-11-3-7-13(8-4-11)19-17-20-16(15(18)23-17)24(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 378.91 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 11337935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).