4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine

C15H11ClN6S — CID 108778534

IUPAC4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESClCc1csc(Nc2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C15H11ClN6S/c16-6-10-8-23-15(20-10)21-13-12-7-19-22(14(12)18-9-17-13)11-4-2-1-3-5-11/h1-5,7-9H,6H2,(H,17,18,20,21)
InChIKeyMUVOXMDPHRKEOA-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.75
Rot. Bonds4

About 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine

4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 108778534) has the molecular formula C15H11ClN6S and a molecular weight of 342.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID108778534
Molecular FormulaC15H11ClN6S
Molecular Weight342.82 g/mol
Exact Mass342.05
IUPAC Name4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESClCc1csc(Nc2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C15H11ClN6S/c16-6-10-8-23-15(20-10)21-13-12-7-19-22(14(12)18-9-17-13)11-4-2-1-3-5-11/h1-5,7-9H,6H2,(H,17,18,20,21)
InChIKeyMUVOXMDPHRKEOA-UHFFFAOYSA-N
XLogP3.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
CID 108771802
N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777072
N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 1390944
6-phenyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772260
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 866514
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
1-(4-chlorophenyl)-N-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 5092933
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133292475

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine (CID 108778534) is 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine is ClCc1csc(Nc2ncnc3c2cnn3-c2ccccc2)n1.
What is the InChIKey of 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is MUVOXMDPHRKEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6S/c16-6-10-8-23-15(20-10)21-13-12-7-19-22(14(12)18-9-17-13)11-4-2-1-3-5-11/h1-5,7-9H,6H2,(H,17,18,20,21).
What are the key properties of 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine?
4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 342.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 108778534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).