2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C19H18N6OS — CID 46879873

IUPAC2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2sc(-c3c(-c4ccccc4)ncn3C[C@H]3CCCO3)nc12
InChIInChI=1S/C19H18N6OS/c20-17-15-18(22-10-21-17)27-19(24-15)16-14(12-5-2-1-3-6-12)23-11-25(16)9-13-7-4-8-26-13/h1-3,5-6,10-11,13H,4,7-9H2,(H2,20,21,22)/t13-/m1/s1
InChIKeyXFQVAGHLSGFVLY-CYBMUJFWSA-N
MW378.46 g/mol
LogP3.38
Rot. Bonds4

About 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 46879873) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID46879873
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2sc(-c3c(-c4ccccc4)ncn3C[C@H]3CCCO3)nc12
InChIInChI=1S/C19H18N6OS/c20-17-15-18(22-10-21-17)27-19(24-15)16-14(12-5-2-1-3-6-12)23-11-25(16)9-13-7-4-8-26-13/h1-3,5-6,10-11,13H,4,7-9H2,(H2,20,21,22)/t13-/m1/s1
InChIKeyXFQVAGHLSGFVLY-CYBMUJFWSA-N
XLogP3.38
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083789
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906
2-[(2-{[4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-yl]amino}ethyl)amino]ethan-1-ol
CID 25263293
2-(1-(2-morpholinobenzyl)-4-phenyl-1H-imidazol-5-yl)thiazolo[5,4-d]pyrimidin-7-amine
CID 45375946
4-N-benzyl-8-N,12-dimethyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene-4,8-diamine
CID 25263285
2-(1-isobutyl-4-phenyl-1H-imidazol-5-yl)thiazolo[5,4-d]pyrimidin-7-amine
CID 46879872
5-(2-Methoxy-1H-benzimidazol-1-yl)-N-(phenylmethyl)thiazolo[5,4-d]pyrimidin-7-amine
CID 89928222
2-(1-Ethyl-4-phenyl-1H-imidazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 10314049
2-(1-Methyl-4-phenyl-1H-imidazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 10357919
N-[[4-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl]methyl]acetamide
CID 53321170

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 46879873) is 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3C[C@H]3CCCO3)nc12.
What is the InChIKey of 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is XFQVAGHLSGFVLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N6OS/c20-17-15-18(22-10-21-17)27-19(24-15)16-14(12-5-2-1-3-6-12)23-11-25(16)9-13-7-4-8-26-13/h1-3,5-6,10-11,13H,4,7-9H2,(H2,20,21,22)/t13-/m1/s1.
What are the key properties of 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 378.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 46879873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).