N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine

C17H16ClN7S — CID 108771802

IUPACN-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)Cc1csc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H16ClN7S/c1-24(2)8-12-9-26-17(22-12)23-15-14-7-21-25(16(14)20-10-19-15)13-5-3-4-11(18)6-13/h3-7,9-10H,8H2,1-2H3,(H,19,20,22,23)
InChIKeyBHAQKVZHXUYYIR-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.73
Rot. Bonds5

About N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine

N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 108771802) has the molecular formula C17H16ClN7S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID108771802
Molecular FormulaC17H16ClN7S
Molecular Weight385.88 g/mol
Exact Mass385.09
IUPAC NameN-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)Cc1csc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H16ClN7S/c1-24(2)8-12-9-26-17(22-12)23-15-14-7-21-25(16(14)20-10-19-15)13-5-3-4-11(18)6-13/h3-7,9-10H,8H2,1-2H3,(H,19,20,22,23)
InChIKeyBHAQKVZHXUYYIR-UHFFFAOYSA-N
XLogP3.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777072
4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108778534
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476368
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017293
1-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 17017238
1-(3-chlorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017275
methyl 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-hydroxybenzoate
CID 108778450
2-[[5-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-1,3,4-thiadiazol-2-yl]methyl]isoindole-1,3-dione
CID 108773841
N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866423
1-(3-chlorophenyl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 108775789
N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 108776652

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine (CID 108771802) is N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine is CN(C)Cc1csc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is BHAQKVZHXUYYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7S/c1-24(2)8-12-9-26-17(22-12)23-15-14-7-21-25(16(14)20-10-19-15)13-5-3-4-11(18)6-13/h3-7,9-10H,8H2,1-2H3,(H,19,20,22,23).
What are the key properties of N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine?
N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 385.88 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 108771802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).