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

C21H26N4O2S2 — CID 158919249

IUPAC3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCc1nc(CN(C)C)sc1-c1csc(Cc2cc(C(N)=O)ccc2OC(C)C)n1
InChIInChI=1S/C21H26N4O2S2/c1-12(2)27-17-7-6-14(21(22)26)8-15(17)9-18-24-16(11-28-18)20-13(3)23-19(29-20)10-25(4)5/h6-8,11-12H,9-10H2,1-5H3,(H2,22,26)
InChIKeyJHPZFUXVLMVQAX-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.11
Rot. Bonds8

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

3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 158919249) has the molecular formula C21H26N4O2S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
PubChem CID158919249
Molecular FormulaC21H26N4O2S2
Molecular Weight430.60 g/mol
Exact Mass430.15
IUPAC Name3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
SMILESCc1nc(CN(C)C)sc1-c1csc(Cc2cc(C(N)=O)ccc2OC(C)C)n1
InChIInChI=1S/C21H26N4O2S2/c1-12(2)27-17-7-6-14(21(22)26)8-15(17)9-18-24-16(11-28-18)20-13(3)23-19(29-20)10-25(4)5/h6-8,11-12H,9-10H2,1-5H3,(H2,22,26)
InChIKeyJHPZFUXVLMVQAX-UHFFFAOYSA-N
XLogP4.11
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 159526318
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-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
4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 160695214
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-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide
CID 160959623

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide (CID 158919249) is 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide is Cc1nc(CN(C)C)sc1-c1csc(Cc2cc(C(N)=O)ccc2OC(C)C)n1.
What is the InChIKey of 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is JHPZFUXVLMVQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S2/c1-12(2)27-17-7-6-14(21(22)26)8-15(17)9-18-24-16(11-28-18)20-13(3)23-19(29-20)10-25(4)5/h6-8,11-12H,9-10H2,1-5H3,(H2,22,26).
What are the key properties of 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?
3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 430.60 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 158919249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).