3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide

C16H16N4O2S2 — CID 152878110

IUPAC3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1Cc1nc(-c2sc(N)nc2C)cs1
InChIInChI=1S/C16H16N4O2S2/c1-8-14(24-16(18)19-8)11-7-23-13(20-11)6-10-5-9(15(17)21)3-4-12(10)22-2/h3-5,7H,6H2,1-2H3,(H2,17,21)(H2,18,19)
InChIKeyUAVIMGMRDDWZRJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.86
Rot. Bonds5

About 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide

3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide (PubChem CID 152878110) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
PubChem CID152878110
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1Cc1nc(-c2sc(N)nc2C)cs1
InChIInChI=1S/C16H16N4O2S2/c1-8-14(24-16(18)19-8)11-7-23-13(20-11)6-10-5-9(15(17)21)3-4-12(10)22-2/h3-5,7H,6H2,1-2H3,(H2,17,21)(H2,18,19)
InChIKeyUAVIMGMRDDWZRJ-UHFFFAOYSA-N
XLogP2.86
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-ethoxybenzamide
CID 157087851
3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 159105325
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide
CID 160959623
3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 158919249
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
4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 160695214
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-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-3-ium-2-yl]amino]-4-methoxybenzamide
CID 163611377
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
5-(2-ethyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
CID 82162091
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-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide (CID 152878110) is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1Cc1nc(-c2sc(N)nc2C)cs1.
What is the InChIKey of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is UAVIMGMRDDWZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-8-14(24-16(18)19-8)11-7-23-13(20-11)6-10-5-9(15(17)21)3-4-12(10)22-2/h3-5,7H,6H2,1-2H3,(H2,17,21)(H2,18,19).
What are the key properties of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide?
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 360.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 152878110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).