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

C21H22N6S — CID 10362983

IUPAC2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3CCCCC3)nc12
InChIInChI=1S/C21H22N6S/c22-19-17-20(24-12-23-19)28-21(26-17)18-16(15-9-5-2-6-10-15)25-13-27(18)11-14-7-3-1-4-8-14/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H2,22,23,24)
InChIKeyFACMGTJQTMTYEF-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.78
Rot. Bonds4

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

2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 10362983) has the molecular formula C21H22N6S and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID10362983
Molecular FormulaC21H22N6S
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC Name2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3CCCCC3)nc12
InChIInChI=1S/C21H22N6S/c22-19-17-20(24-12-23-19)28-21(26-17)18-16(15-9-5-2-6-10-15)25-13-27(18)11-14-7-3-1-4-8-14/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H2,22,23,24)
InChIKeyFACMGTJQTMTYEF-UHFFFAOYSA-N
XLogP4.78
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 10362983) is 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3CCCCC3)nc12.
What is the InChIKey of 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is FACMGTJQTMTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S/c22-19-17-20(24-12-23-19)28-21(26-17)18-16(15-9-5-2-6-10-15)25-13-27(18)11-14-7-3-1-4-8-14/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H2,22,23,24).
What are the key properties of 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 390.52 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 10362983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).