5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

C18H19N3O2S2 — CID 175544579

IUPAC5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCCc1sc(Nc2ccc(S(C)(=O)=O)cc2)nc1-c1ccnc(C)c1
InChIInChI=1S/C18H19N3O2S2/c1-4-16-17(13-9-10-19-12(2)11-13)21-18(24-16)20-14-5-7-15(8-6-14)25(3,22)23/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyPHZFBOQWHTYDPW-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.22
Rot. Bonds5

About 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 175544579) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID175544579
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCCc1sc(Nc2ccc(S(C)(=O)=O)cc2)nc1-c1ccnc(C)c1
InChIInChI=1S/C18H19N3O2S2/c1-4-16-17(13-9-10-19-12(2)11-13)21-18(24-16)20-14-5-7-15(8-6-14)25(3,22)23/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyPHZFBOQWHTYDPW-UHFFFAOYSA-N
XLogP4.22
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonic acid
CID 164587766
[4-(2-chloro-4-pyridinyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
CID 164587747
4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
CID 10223922
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 164587760
[2-[4-methylsulfonyl-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
CID 164587647
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
4-[(5-methyl-4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonic acid
CID 21058801
2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine
CID 141276188
2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544584
2-[2-(4-bromoanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
CID 2175811
4-N-(6-chloro-1,3-benzothiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 155518010

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (CID 175544579) is 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is CCc1sc(Nc2ccc(S(C)(=O)=O)cc2)nc1-c1ccnc(C)c1.
What is the InChIKey of 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is PHZFBOQWHTYDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-16-17(13-9-10-19-12(2)11-13)21-18(24-16)20-14-5-7-15(8-6-14)25(3,22)23/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 373.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 175544579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).