4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine

C15H16N4S — CID 82106387

IUPAC4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1nc(N)sc1C
InChIInChI=1S/C15H16N4S/c1-9-13(14-11(3)20-15(16)17-14)10(2)19(18-9)12-7-5-4-6-8-12/h4-8H,1-3H3,(H2,16,17)
InChIKeyFHDSWSFWGDFUQT-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.50
Rot. Bonds2

About 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine

4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 82106387) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID82106387
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1nc(N)sc1C
InChIInChI=1S/C15H16N4S/c1-9-13(14-11(3)20-15(16)17-14)10(2)19(18-9)12-7-5-4-6-8-12/h4-8H,1-3H3,(H2,16,17)
InChIKeyFHDSWSFWGDFUQT-UHFFFAOYSA-N
XLogP3.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 82106390
4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 83811054
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 141063590
3-chloro-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)aniline
CID 107616169
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole
CID 140715479
[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888657
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine (CID 82106387) is 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine is Cc1nn(-c2ccccc2)c(C)c1-c1nc(N)sc1C.
What is the InChIKey of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is FHDSWSFWGDFUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9-13(14-11(3)20-15(16)17-14)10(2)19(18-9)12-7-5-4-6-8-12/h4-8H,1-3H3,(H2,16,17).
What are the key properties of 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine?
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82106387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).