4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine

C15H16N4O4S2 — CID 87098204

IUPAC4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCOCc1c(-c2csc(N)n2)cnn1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H16N4O4S2/c1-22-8-14-12(13-9-24-15(16)18-13)7-17-19(14)25(20,21)11-5-3-10(23-2)4-6-11/h3-7,9H,8H2,1-2H3,(H2,16,18)
InChIKeyVFENNYUEVWFAOA-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.98
Rot. Bonds6

About 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine

4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 87098204) has the molecular formula C15H16N4O4S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID87098204
Molecular FormulaC15H16N4O4S2
Molecular Weight380.45 g/mol
Exact Mass380.06
IUPAC Name4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCOCc1c(-c2csc(N)n2)cnn1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H16N4O4S2/c1-22-8-14-12(13-9-24-15(16)18-13)7-17-19(14)25(20,21)11-5-3-10(23-2)4-6-11/h3-7,9H,8H2,1-2H3,(H2,16,18)
InChIKeyVFENNYUEVWFAOA-UHFFFAOYSA-N
XLogP1.98
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine
CID 86692031
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-[2-(methoxymethyl)phenyl]-1,3-thiazol-2-amine
CID 162386865
3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(4-methoxyphenyl)sulfonylpyrazole
CID 19588102
1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 14814702
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
CID 20873558
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
CID 4789569
4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine
CID 2028696
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92659524
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine
CID 105064795

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine (CID 87098204) is 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine is COCc1c(-c2csc(N)n2)cnn1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is VFENNYUEVWFAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S2/c1-22-8-14-12(13-9-24-15(16)18-13)7-17-19(14)25(20,21)11-5-3-10(23-2)4-6-11/h3-7,9H,8H2,1-2H3,(H2,16,18).
What are the key properties of 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine?
4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 380.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87098204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).