N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H15N5OS — CID 44564791

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1nc(Nc2ccc(-c3nc4ccccc4s3)cc2)c2cc[nH]c2n1
InChIInChI=1S/C20H15N5OS/c1-26-20-24-17-14(10-11-21-17)18(25-20)22-13-8-6-12(7-9-13)19-23-15-4-2-3-5-16(15)27-19/h2-11H,1H3,(H2,21,22,24,25)
InChIKeyOJBMEBMIUCBAAE-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.99
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 44564791) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID44564791
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1nc(Nc2ccc(-c3nc4ccccc4s3)cc2)c2cc[nH]c2n1
InChIInChI=1S/C20H15N5OS/c1-26-20-24-17-14(10-11-21-17)18(25-20)22-13-8-6-12(7-9-13)19-23-15-4-2-3-5-16(15)27-19/h2-11H,1H3,(H2,21,22,24,25)
InChIKeyOJBMEBMIUCBAAE-UHFFFAOYSA-N
XLogP4.99
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-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

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
(1H-Indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 9884465
1,3-benzothiazol-2-yl(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-4-pyrimidinyl)acetonitrile
CID 10269964
(2-Methyl-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11346863
(3-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382736
[6-(4-Aminomethyl-phenyl)-thieno[3,2-d]pyrimidin-4-yl]-(1H-indol-5-yl)-amine
CID 18382775
N-(1H-Indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382956
N-(6-(2-benzylpyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182146

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 44564791) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1nc(Nc2ccc(-c3nc4ccccc4s3)cc2)c2cc[nH]c2n1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OJBMEBMIUCBAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c1-26-20-24-17-14(10-11-21-17)18(25-20)22-13-8-6-12(7-9-13)19-23-15-4-2-3-5-16(15)27-19/h2-11H,1H3,(H2,21,22,24,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 373.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44564791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).