4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine

C20H22N6O2S2 — CID 87383094

IUPAC4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1nccn1-c1cc(-c2sc(Nc3ccn[nH]3)nc2C)ccc1S(C)(=O)=O
InChIInChI=1S/C20H22N6O2S2/c1-4-5-18-21-10-11-26(18)15-12-14(6-7-16(15)30(3,27)28)19-13(2)23-20(29-19)24-17-8-9-22-25-17/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25)
InChIKeyNFCVGJPAXWMNAF-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.13
Rot. Bonds7

About 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine

4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 87383094) has the molecular formula C20H22N6O2S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
PubChem CID87383094
Molecular FormulaC20H22N6O2S2
Molecular Weight442.57 g/mol
Exact Mass442.12
IUPAC Name4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1nccn1-c1cc(-c2sc(Nc3ccn[nH]3)nc2C)ccc1S(C)(=O)=O
InChIInChI=1S/C20H22N6O2S2/c1-4-5-18-21-10-11-26(18)15-12-14(6-7-16(15)30(3,27)28)19-13(2)23-20(29-19)24-17-8-9-22-25-17/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25)
InChIKeyNFCVGJPAXWMNAF-UHFFFAOYSA-N
XLogP4.13
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-[3-(2-methylimidazol-1-yl)-4-methylsulfonylphenyl]-1,3-thiazol-2-yl]acetamide
CID 87061343
(2S,4S)-4-hydroxy-1-N-[4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide;2,2,2-trifluoroacetic acid
CID 42646005
5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 87382860
1-[5-[3-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-yl]-3-ethylurea
CID 86598414
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
4-[2-[5-[4-methyl-2-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-5-yl]-2-methylsulfonylphenoxy]ethyl]morpholine
CID 10004550
3-[5-[[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-1,3,4-thiadiazol-2-yl]propanoic acid
CID 87382773
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81145297
1-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]urea
CID 87292217
5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine
CID 87891220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine (CID 87383094) is 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine is CCCc1nccn1-c1cc(-c2sc(Nc3ccn[nH]3)nc2C)ccc1S(C)(=O)=O.
What is the InChIKey of 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is NFCVGJPAXWMNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S2/c1-4-5-18-21-10-11-26(18)15-12-14(6-7-16(15)30(3,27)28)19-13(2)23-20(29-19)24-17-8-9-22-25-17/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 442.57 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-methylsulfonyl-3-(2-propylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87383094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).