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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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).