N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C22H18N6OS — CID 177241909

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3)nc3ncsc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H18N6OS/c1-14-11-28(12-23-14)17-9-8-16(10-18(17)29-2)25-22-19-21(24-13-30-19)26-20(27-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,26,27)
InChIKeyLSCHDKCHLMMVIU-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.00
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 177241909) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID177241909
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3)nc3ncsc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H18N6OS/c1-14-11-28(12-23-14)17-9-8-16(10-18(17)29-2)25-22-19-21(24-13-30-19)26-20(27-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,26,27)
InChIKeyLSCHDKCHLMMVIU-UHFFFAOYSA-N
XLogP5.00
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 123330510
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 67416890
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-phenylpyrimidin-4-yl]-2-phenylacetic acid
CID 68630360
1-benzyl-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075746
3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 178075774

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 177241909) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is COc1cc(Nc2nc(-c3ccccc3)nc3ncsc23)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LSCHDKCHLMMVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-14-11-28(12-23-14)17-9-8-16(10-18(17)29-2)25-22-19-21(24-13-30-19)26-20(27-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,26,27).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 414.49 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 177241909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).