4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C23H18N4OS2 — CID 27677602

IUPAC4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12
InChIInChI=1S/C23H18N4OS2/c1-14-8-6-12-27-20(14)25-18(16-9-4-3-5-10-16)21(27)26-22(28)19-15(2)24-23(30-19)17-11-7-13-29-17/h3-13H,1-2H3,(H,26,28)
InChIKeyTVGDWDQTPYAJQN-UHFFFAOYSA-N
MW430.56 g/mol
LogP6.06
Rot. Bonds4

About 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 27677602) has the molecular formula C23H18N4OS2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID27677602
Molecular FormulaC23H18N4OS2
Molecular Weight430.56 g/mol
Exact Mass430.09
IUPAC Name4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12
InChIInChI=1S/C23H18N4OS2/c1-14-8-6-12-27-20(14)25-18(16-9-4-3-5-10-16)21(27)26-22(28)19-15(2)24-23(30-19)17-11-7-13-29-17/h3-13H,1-2H3,(H,26,28)
InChIKeyTVGDWDQTPYAJQN-UHFFFAOYSA-N
XLogP6.06
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 27677602) is 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12.
What is the InChIKey of 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TVGDWDQTPYAJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS2/c1-14-8-6-12-27-20(14)25-18(16-9-4-3-5-10-16)21(27)26-22(28)19-15(2)24-23(30-19)17-11-7-13-29-17/h3-13H,1-2H3,(H,26,28).
What are the key properties of 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27677602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).