4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine

C13H11ClN4S — CID 2805415

IUPAC4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2nc(-c3ccc(Cl)cc3)cs2)c1N
InChIInChI=1S/C13H11ClN4S/c1-18-12(15)10(6-16-18)13-17-11(7-19-13)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3
InChIKeyFZAXBDIMOOZDLW-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.45
Rot. Bonds2

About 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine (PubChem CID 2805415) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine
PubChem CID2805415
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2nc(-c3ccc(Cl)cc3)cs2)c1N
InChIInChI=1S/C13H11ClN4S/c1-18-12(15)10(6-16-18)13-17-11(7-19-13)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3
InChIKeyFZAXBDIMOOZDLW-UHFFFAOYSA-N
XLogP3.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474409
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-
CID 986333
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 3057627
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-phenyl-
CID 1498382
4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189479
4-(4-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189480
4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189481
2-(4-Chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole
CID 2726922
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 53621781
1-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
CID 71969692
N-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 72043747
4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 86288954

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine (CID 2805415) is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine is Cn1ncc(-c2nc(-c3ccc(Cl)cc3)cs2)c1N.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine?
The InChIKey is FZAXBDIMOOZDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-18-12(15)10(6-16-18)13-17-11(7-19-13)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine?
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine has a molecular weight of 290.78 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 2805415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).