5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine

C14H14N4O2S2 — CID 87891220

IUPAC5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccc(S(C)(=O)=O)c(-c2ncc[nH]2)c1
InChIInChI=1S/C14H14N4O2S2/c1-8-12(21-14(15)18-8)9-3-4-11(22(2,19)20)10(7-9)13-16-5-6-17-13/h3-7H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyMSEXXZXXDYVLAR-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.49
Rot. Bonds3

About 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine

5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 87891220) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID87891220
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccc(S(C)(=O)=O)c(-c2ncc[nH]2)c1
InChIInChI=1S/C14H14N4O2S2/c1-8-12(21-14(15)18-8)9-3-4-11(22(2,19)20)10(7-9)13-16-5-6-17-13/h3-7H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyMSEXXZXXDYVLAR-UHFFFAOYSA-N
XLogP2.49
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 57351277
5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide
CID 154989865
5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 86653054
5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 57473304
3-(1H-imidazol-2-yl)-2-methylpyridine
CID 59198842
2-ethyl-4-(1H-imidazol-2-yl)aniline
CID 55268227
4-(2-amino-4-methyl-1,3-thiazol-5-yl)-6-methylpyran-2-one
CID 147584859
6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one
CID 117273148
5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 167489856
4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
CID 87382768
3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride
CID 67922284
2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole
CID 67618457

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine (CID 87891220) is 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1ccc(S(C)(=O)=O)c(-c2ncc[nH]2)c1.
What is the InChIKey of 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is MSEXXZXXDYVLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-8-12(21-14(15)18-8)9-3-4-11(22(2,19)20)10(7-9)13-16-5-6-17-13/h3-7H,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine?
5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 334.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87891220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).