6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H16FN5O2S — CID 42194159

IUPAC6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc(-c2cn3c(C(=O)N(C)Cc4ccncn4)csc3n2)cc1F
InChIInChI=1S/C19H16FN5O2S/c1-24(8-13-5-6-21-11-22-13)18(26)16-10-28-19-23-15(9-25(16)19)12-3-4-17(27-2)14(20)7-12/h3-7,9-11H,8H2,1-2H3
InChIKeyZQNONFQQUXZWRD-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.27
Rot. Bonds5

About 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42194159) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42194159
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc(-c2cn3c(C(=O)N(C)Cc4ccncn4)csc3n2)cc1F
InChIInChI=1S/C19H16FN5O2S/c1-24(8-13-5-6-21-11-22-13)18(26)16-10-28-19-23-15(9-25(16)19)12-3-4-17(27-2)14(20)7-12/h3-7,9-11H,8H2,1-2H3
InChIKeyZQNONFQQUXZWRD-UHFFFAOYSA-N
XLogP3.27
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42194159) is 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is COc1ccc(-c2cn3c(C(=O)N(C)Cc4ccncn4)csc3n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is ZQNONFQQUXZWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-24(8-13-5-6-21-11-22-13)18(26)16-10-28-19-23-15(9-25(16)19)12-3-4-17(27-2)14(20)7-12/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42194159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).