4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C21H25N7S2 — CID 145104104

IUPAC4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)c1nc2c(s1)CN(c1cccc(-c3csc(NC4=NCCCN4)n3)n1)CC2
InChIInChI=1S/C21H25N7S2/c1-13(2)19-25-15-7-10-28(11-17(15)30-19)18-6-3-5-14(24-18)16-12-29-21(26-16)27-20-22-8-4-9-23-20/h3,5-6,12-13H,4,7-11H2,1-2H3,(H2,22,23,26,27)
InChIKeyZQODAXOVPHCEKS-UHFFFAOYSA-N
MW439.61 g/mol
LogP4.11
Rot. Bonds4

About 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104104) has the molecular formula C21H25N7S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104104
Molecular FormulaC21H25N7S2
Molecular Weight439.61 g/mol
Exact Mass439.16
IUPAC Name4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)c1nc2c(s1)CN(c1cccc(-c3csc(NC4=NCCCN4)n3)n1)CC2
InChIInChI=1S/C21H25N7S2/c1-13(2)19-25-15-7-10-28(11-17(15)30-19)18-6-3-5-14(24-18)16-12-29-21(26-16)27-20-22-8-4-9-23-20/h3,5-6,12-13H,4,7-11H2,1-2H3,(H2,22,23,26,27)
InChIKeyZQODAXOVPHCEKS-UHFFFAOYSA-N
XLogP4.11
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104104) is 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is CC(C)c1nc2c(s1)CN(c1cccc(-c3csc(NC4=NCCCN4)n3)n1)CC2.
What is the InChIKey of 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is ZQODAXOVPHCEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7S2/c1-13(2)19-25-15-7-10-28(11-17(15)30-19)18-6-3-5-14(24-18)16-12-29-21(26-16)27-20-22-8-4-9-23-20/h3,5-6,12-13H,4,7-11H2,1-2H3,(H2,22,23,26,27).
What are the key properties of 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 439.61 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).