N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide

C24H26N4O4S — CID 25231983

IUPACN-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2cn3c(CN(C)C)csc3n2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O4S/c1-27(2)12-16-14-33-24-26-19(13-28(16)24)17-8-6-7-9-18(17)25-23(29)15-10-20(30-3)22(32-5)21(11-15)31-4/h6-11,13-14H,12H2,1-5H3,(H,25,29)
InChIKeyYXXHUVBIYMHRGH-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.40
Rot. Bonds8

About N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide

N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 25231983) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID25231983
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2cn3c(CN(C)C)csc3n2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O4S/c1-27(2)12-16-14-33-24-26-19(13-28(16)24)17-8-6-7-9-18(17)25-23(29)15-10-20(30-3)22(32-5)21(11-15)31-4/h6-11,13-14H,12H2,1-5H3,(H,25,29)
InChIKeyYXXHUVBIYMHRGH-UHFFFAOYSA-N
XLogP4.40
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide (CID 25231983) is N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2-c2cn3c(CN(C)C)csc3n2)cc(OC)c1OC.
What is the InChIKey of N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is YXXHUVBIYMHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-27(2)12-16-14-33-24-26-19(13-28(16)24)17-8-6-7-9-18(17)25-23(29)15-10-20(30-3)22(32-5)21(11-15)31-4/h6-11,13-14H,12H2,1-5H3,(H,25,29).
What are the key properties of N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide?
N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 466.56 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 25231983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).