N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C22H19F2N5O2S3 — CID 25071855

IUPACN-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C22H19F2N5O2S3/c1-11-18(28-5-6-33-22(28)26-11)20(30)25-8-14-9-32-10-29(14)21(31)17-19(34-12(2)27-17)13-3-4-15(23)16(24)7-13/h3-7,14H,8-10H2,1-2H3,(H,25,30)/t14-/m1/s1
InChIKeyRUVQRHOWIGBERO-CQSZACIVSA-N
MW519.62 g/mol
LogP4.36
Rot. Bonds5

About N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25071855) has the molecular formula C22H19F2N5O2S3 and a molecular weight of 519.62 g/mol. Its IUPAC name is N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID25071855
Molecular FormulaC22H19F2N5O2S3
Molecular Weight519.62 g/mol
Exact Mass519.07
IUPAC NameN-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C22H19F2N5O2S3/c1-11-18(28-5-6-33-22(28)26-11)20(30)25-8-14-9-32-10-29(14)21(31)17-19(34-12(2)27-17)13-3-4-15(23)16(24)7-13/h3-7,14H,8-10H2,1-2H3,(H,25,30)/t14-/m1/s1
InChIKeyRUVQRHOWIGBERO-CQSZACIVSA-N
XLogP4.36
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25071855) is N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is RUVQRHOWIGBERO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F2N5O2S3/c1-11-18(28-5-6-33-22(28)26-11)20(30)25-8-14-9-32-10-29(14)21(31)17-19(34-12(2)27-17)13-3-4-15(23)16(24)7-13/h3-7,14H,8-10H2,1-2H3,(H,25,30)/t14-/m1/s1.
What are the key properties of N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 519.62 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 25071855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).