N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

C19H23N7O2S2 — CID 145105066

About N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 145105066) has the molecular formula C19H23N7O2S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
• PubChem CID: 145105066
• Molecular Formula: C19H23N7O2S2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.14
• IUPAC Name: N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
• SMILES: CN1CCN=C1Nc1nc(-c2csc(-c3cc(OCC4(C)COC4)nn3C)n2)cs1
• InChI: InChI=1S/C19H23N7O2S2/c1-19(9-27-10-19)11-28-15-6-14(26(3)24-15)16-21-12(7-29-16)13-8-30-18(22-13)23-17-20-4-5-25(17)2/h6-8H,4-5,9-11H2,1-3H3,(H,20,22,23)
• InChIKey: DDYDRVYNIGSXJX-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 89.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?

The IUPAC name of N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 145105066) is N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?

The canonical SMILES for N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is CN1CCN=C1Nc1nc(-c2csc(-c3cc(OCC4(C)COC4)nn3C)n2)cs1.

What is the InChIKey of N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?

The InChIKey is DDYDRVYNIGSXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S2/c1-19(9-27-10-19)11-28-15-6-14(26(3)24-15)16-21-12(7-29-16)13-8-30-18(22-13)23-17-20-4-5-25(17)2/h6-8H,4-5,9-11H2,1-3H3,(H,20,22,23).

What are the key properties of N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?

N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 445.57 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methyl-4,5-dihydroimidazol-2-yl)-4-[2-[1-methyl-3-[(3-methyloxetan-3-yl)methoxy]pyrazol-5-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 145105066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).