5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine

C18H16N6O2S2 — CID 87382860

IUPAC5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2cnccn2)sc1-c1ccc(S(C)(=O)=O)c(-n2ccnc2)c1
InChIInChI=1S/C18H16N6O2S2/c1-12-17(27-18(22-12)23-16-10-19-5-6-21-16)13-3-4-15(28(2,25)26)14(9-13)24-8-7-20-11-24/h3-11H,1-2H3,(H,21,22,23)
InChIKeyUZFRYIHCPOLJNX-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.24
Rot. Bonds5

About 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine

5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine (PubChem CID 87382860) has the molecular formula C18H16N6O2S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine
PubChem CID87382860
Molecular FormulaC18H16N6O2S2
Molecular Weight412.50 g/mol
Exact Mass412.08
IUPAC Name5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2cnccn2)sc1-c1ccc(S(C)(=O)=O)c(-n2ccnc2)c1
InChIInChI=1S/C18H16N6O2S2/c1-12-17(27-18(22-12)23-16-10-19-5-6-21-16)13-3-4-15(28(2,25)26)14(9-13)24-8-7-20-11-24/h3-11H,1-2H3,(H,21,22,23)
InChIKeyUZFRYIHCPOLJNX-UHFFFAOYSA-N
XLogP3.24
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 53429448
N-[4-methyl-5-[3-(2-methylimidazol-1-yl)-4-methylsulfonylphenyl]-1,3-thiazol-2-yl]acetamide
CID 87061343
4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
CID 87383094
4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
CID 87382768
N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 71480200
N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 87291867
5-methyl-4-(4-methylphenyl)-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 174854702
1-ethyl-3-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]urea
CID 86598413
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
CID 110665959
1-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-[2-[1-(2-methylpropyl)imidazol-4-yl]ethyl]urea
CID 57466865
N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 89096129
N-(4-methylphenyl)pyrazin-2-amine
CID 23073023

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine (CID 87382860) is 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine is Cc1nc(Nc2cnccn2)sc1-c1ccc(S(C)(=O)=O)c(-n2ccnc2)c1.
What is the InChIKey of 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine?
The InChIKey is UZFRYIHCPOLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S2/c1-12-17(27-18(22-12)23-16-10-19-5-6-21-16)13-3-4-15(28(2,25)26)14(9-13)24-8-7-20-11-24/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine?
5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine has a molecular weight of 412.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87382860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).