3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline

C14H14N4S — CID 65197542

IUPAC3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
SMILESCc1nn(C)cc1-c1csc(-c2cccc(N)c2)n1
InChIInChI=1S/C14H14N4S/c1-9-12(7-18(2)17-9)13-8-19-14(16-13)10-4-3-5-11(15)6-10/h3-8H,15H2,1-2H3
InChIKeyBFKCHFLTEDXPED-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.10
Rot. Bonds2

About 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline

3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline (PubChem CID 65197542) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
PubChem CID65197542
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
SMILESCc1nn(C)cc1-c1csc(-c2cccc(N)c2)n1
InChIInChI=1S/C14H14N4S/c1-9-12(7-18(2)17-9)13-8-19-14(16-13)10-4-3-5-11(15)6-10/h3-8H,15H2,1-2H3
InChIKeyBFKCHFLTEDXPED-UHFFFAOYSA-N
XLogP3.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline (CID 65197542) is 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline is Cc1nn(C)cc1-c1csc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline?
The InChIKey is BFKCHFLTEDXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-12(7-18(2)17-9)13-8-19-14(16-13)10-4-3-5-11(15)6-10/h3-8H,15H2,1-2H3.
What are the key properties of 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline?
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline has a molecular weight of 270.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 65197542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).