N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide

C19H20ClN3O2S2 — CID 154644805

IUPACN-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide
SMILESCNc1nc(C)c(-c2ccc(OC)c(S(=O)Nc3ccc(C)c(Cl)c3)c2)s1
InChIInChI=1S/C19H20ClN3O2S2/c1-11-5-7-14(10-15(11)20)23-27(24)17-9-13(6-8-16(17)25-4)18-12(2)22-19(21-3)26-18/h5-10,23H,1-4H3,(H,21,22)
InChIKeyKZJRDHOLXLTZJV-UHFFFAOYSA-N
MW421.98 g/mol
LogP5.27
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide

N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide (PubChem CID 154644805) has the molecular formula C19H20ClN3O2S2 and a molecular weight of 421.98 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide
PubChem CID154644805
Molecular FormulaC19H20ClN3O2S2
Molecular Weight421.98 g/mol
Exact Mass421.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide
SMILESCNc1nc(C)c(-c2ccc(OC)c(S(=O)Nc3ccc(C)c(Cl)c3)c2)s1
InChIInChI=1S/C19H20ClN3O2S2/c1-11-5-7-14(10-15(11)20)23-27(24)17-9-13(6-8-16(17)25-4)18-12(2)22-19(21-3)26-18/h5-10,23H,1-4H3,(H,21,22)
InChIKeyKZJRDHOLXLTZJV-UHFFFAOYSA-N
XLogP5.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.98
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide
CID 145359464
N-(6-chloro-5-methyl-3-pyridinyl)-5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfinamide
CID 145359554
5-[2-(2-cyclohexylpropylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)-2-methoxybenzenesulfinamide
CID 154644816
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide
CID 145359450
N-(2,6-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide
CID 145359530
ethyl 4-[[2-methoxy-5-[4-methyl-2-[[2-(oxan-4-yl)acetyl]amino]-1,3-thiazol-5-yl]phenyl]sulfinylamino]benzoate
CID 145359430
2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-methylphenyl)benzenesulfinamide
CID 154644812
N-(3-chloro-4-methylphenyl)-5-[2-(cyclohexylmethyl)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfonamide
CID 71548812
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-2-methylbenzenesulfinamide
CID 145359581
5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 167489856
2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 154644803
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 89493911

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide (CID 154644805) is N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide is CNc1nc(C)c(-c2ccc(OC)c(S(=O)Nc3ccc(C)c(Cl)c3)c2)s1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide?
The InChIKey is KZJRDHOLXLTZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S2/c1-11-5-7-14(10-15(11)20)23-27(24)17-9-13(6-8-16(17)25-4)18-12(2)22-19(21-3)26-18/h5-10,23H,1-4H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide?
N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide has a molecular weight of 421.98 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methoxy-5-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]benzenesulfinamide is sourced from PubChem (CID 154644805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).