2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine

C16H18N4S — CID 82106390

IUPAC2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1csc(CCN)n1
InChIInChI=1S/C16H18N4S/c1-11-16(14-10-21-15(18-14)8-9-17)12(2)20(19-11)13-6-4-3-5-7-13/h3-7,10H,8-9,17H2,1-2H3
InChIKeyXSXOBLNRCNLPQE-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.11
Rot. Bonds4

About 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine

2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 82106390) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID82106390
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1csc(CCN)n1
InChIInChI=1S/C16H18N4S/c1-11-16(14-10-21-15(18-14)8-9-17)12(2)20(19-11)13-6-4-3-5-7-13/h3-7,10H,8-9,17H2,1-2H3
InChIKeyXSXOBLNRCNLPQE-UHFFFAOYSA-N
XLogP3.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine
CID 82106387
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 141063590
[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888657
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
CID 127046715
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
CID 22244634
3-chloro-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)aniline
CID 107616169
2-[4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 66375324
2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372909

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine (CID 82106390) is 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine is Cc1nn(-c2ccccc2)c(C)c1-c1csc(CCN)n1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is XSXOBLNRCNLPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-16(14-10-21-15(18-14)8-9-17)12(2)20(19-11)13-6-4-3-5-7-13/h3-7,10H,8-9,17H2,1-2H3.
What are the key properties of 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 298.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82106390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).