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

C18H11ClN6S2 — CID 108777072

IUPACN-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESClc1cccc(-n2ncc3c(Nc4nc(-c5cccs5)cs4)ncnc32)c1
InChIInChI=1S/C18H11ClN6S2/c19-11-3-1-4-12(7-11)25-17-13(8-22-25)16(20-10-21-17)24-18-23-14(9-27-18)15-5-2-6-26-15/h1-10H,(H,20,21,23,24)
InChIKeyJOBWBBRXGCMJBF-UHFFFAOYSA-N
MW410.92 g/mol
LogP5.40
Rot. Bonds4

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

N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 108777072) has the molecular formula C18H11ClN6S2 and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID108777072
Molecular FormulaC18H11ClN6S2
Molecular Weight410.92 g/mol
Exact Mass410.02
IUPAC NameN-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESClc1cccc(-n2ncc3c(Nc4nc(-c5cccs5)cs4)ncnc32)c1
InChIInChI=1S/C18H11ClN6S2/c19-11-3-1-4-12(7-11)25-17-13(8-22-25)16(20-10-21-17)24-18-23-14(9-27-18)15-5-2-6-26-15/h1-10H,(H,20,21,23,24)
InChIKeyJOBWBBRXGCMJBF-UHFFFAOYSA-N
XLogP5.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
CID 108771802
1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476368
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
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
4-(chloromethyl)-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108778534
1-(3-chlorophenyl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 108775789
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017293
1-(3-chlorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017275
N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866423
1-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 17017238
methyl 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-hydroxybenzoate
CID 108778450
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-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 108777072) is N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine is Clc1cccc(-n2ncc3c(Nc4nc(-c5cccs5)cs4)ncnc32)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is JOBWBBRXGCMJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN6S2/c19-11-3-1-4-12(7-11)25-17-13(8-22-25)16(20-10-21-17)24-18-23-14(9-27-18)15-5-2-6-26-15/h1-10H,(H,20,21,23,24).
What are the key properties of N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 410.92 g/mol, XLogP of 5.40, 4 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-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 108777072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).