3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide

C23H22N4O2S2 — CID 162029801

IUPAC3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCc1nc(-c2ccncc2)sc1-c1csc(Cc2cc(C(N)=O)ccc2OC(C)C)n1
InChIInChI=1S/C23H22N4O2S2/c1-13(2)29-19-5-4-16(22(24)28)10-17(19)11-20-27-18(12-30-20)21-14(3)26-23(31-21)15-6-8-25-9-7-15/h4-10,12-13H,11H2,1-3H3,(H2,24,28)
InChIKeyYVWDXUQUPOXFKD-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.11
Rot. Bonds7

About 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide

3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 162029801) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
PubChem CID162029801
Molecular FormulaC23H22N4O2S2
Molecular Weight450.59 g/mol
Exact Mass450.12
IUPAC Name3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCc1nc(-c2ccncc2)sc1-c1csc(Cc2cc(C(N)=O)ccc2OC(C)C)n1
InChIInChI=1S/C23H22N4O2S2/c1-13(2)29-19-5-4-16(22(24)28)10-17(19)11-20-27-18(12-30-20)21-14(3)26-23(31-21)15-6-8-25-9-7-15/h4-10,12-13H,11H2,1-3H3,(H2,24,28)
InChIKeyYVWDXUQUPOXFKD-UHFFFAOYSA-N
XLogP5.11
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 158919249
4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 159526318
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 152878110
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-ethoxybenzamide
CID 157087851
3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 161448338
4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 160695214
3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 159105325
4-ethoxy-3-[[4-[4-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]benzamide
CID 159606715
3-[[4-(4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 123335380
4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 147056840
3-[[4-[4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 159636031
5-[2-[[3-(1-aminoethenyl)phenyl]methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;2,4-dimethyl-5-[2-[(2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-1,3-thiazole;1-[3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethenamine;5-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-[(2-methoxy-3-methylphenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;4-methyl-5-[2-[(2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;N-[4-methyl-5-[2-[(2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 159272274

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide (CID 162029801) is 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide is Cc1nc(-c2ccncc2)sc1-c1csc(Cc2cc(C(N)=O)ccc2OC(C)C)n1.
What is the InChIKey of 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is YVWDXUQUPOXFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c1-13(2)29-19-5-4-16(22(24)28)10-17(19)11-20-27-18(12-30-20)21-14(3)26-23(31-21)15-6-8-25-9-7-15/h4-10,12-13H,11H2,1-3H3,(H2,24,28).
What are the key properties of 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?
3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 450.59 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 162029801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).