N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C23H23N3O3S — CID 19164083

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1OC
InChIInChI=1S/C23H23N3O3S/c1-15-21(30-23-25-18(14-26(15)23)17-7-5-4-6-8-17)22(27)24-12-11-16-9-10-19(28-2)20(13-16)29-3/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)
InChIKeyISSTXLCRIXOASO-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.36
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 19164083) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID19164083
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1OC
InChIInChI=1S/C23H23N3O3S/c1-15-21(30-23-25-18(14-26(15)23)17-7-5-4-6-8-17)22(27)24-12-11-16-9-10-19(28-2)20(13-16)29-3/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)
InChIKeyISSTXLCRIXOASO-UHFFFAOYSA-N
XLogP4.36
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 19164083) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(CCNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is ISSTXLCRIXOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15-21(30-23-25-18(14-26(15)23)17-7-5-4-6-8-17)22(27)24-12-11-16-9-10-19(28-2)20(13-16)29-3/h4-10,13-14H,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 19164083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).