N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine

C20H14N4OS2 — CID 44564821

IUPACN-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H14N4OS2/c1-25-16-10-12(23-19-18-15(8-9-26-18)21-11-22-19)6-7-13(16)20-24-14-4-2-3-5-17(14)27-20/h2-11H,1H3,(H,21,22,23)
InChIKeyYVZHTPUIVFSOKV-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.72
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine

N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 44564821) has the molecular formula C20H14N4OS2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID44564821
Molecular FormulaC20H14N4OS2
Molecular Weight390.49 g/mol
Exact Mass390.06
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H14N4OS2/c1-25-16-10-12(23-19-18-15(8-9-26-18)21-11-22-19)6-7-13(16)20-24-14-4-2-3-5-17(14)27-20/h2-11H,1H3,(H,21,22,23)
InChIKeyYVZHTPUIVFSOKV-UHFFFAOYSA-N
XLogP5.72
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Thienopyrimidine deriv. 14
CID 6539991
Thienopyrimidine deriv. 90
CID 6540023
6-Methoxy-5-[(4-{[6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidin-4-Yl]amino}piperidin-1-Yl)methyl]-1h-Indole-2-Carbonitrile
CID 90405035
N-(2-aminoethyl)-4-(2-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093435
1-(3-Methoxyphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138110
N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9925060
N-(4-(benzo[d]thiazol-2-yl)phenyl)-6,7-dimethoxyquinazolin-4-amine
CID 16042971
N-(4-(benzo[d]thiazol-2-yl)-2-methylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 44156909
N-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 44156917
N2-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564788
N-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 44564790
N-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-2-methoxy-9H-purin-6-amine
CID 44564817

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine (CID 44564821) is N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YVZHTPUIVFSOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS2/c1-25-16-10-12(23-19-18-15(8-9-26-18)21-11-22-19)6-7-13(16)20-24-14-4-2-3-5-17(14)27-20/h2-11H,1H3,(H,21,22,23).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine?
N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 44564821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).