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

C22H19F2N5O2S2 — CID 67018176

IUPACN-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CC[C@@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cc(F)cc(F)c2)s1
InChIInChI=1S/C22H19F2N5O2S2/c1-11-18(29-5-6-32-22(29)26-11)20(30)25-10-16-3-4-28(16)21(31)17-19(33-12(2)27-17)13-7-14(23)9-15(24)8-13/h5-9,16H,3-4,10H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyLTDGRFGKBKBBNS-MRXNPFEDSA-N
MW487.56 g/mol
LogP4.06
Rot. Bonds5

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

N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67018176) has the molecular formula C22H19F2N5O2S2 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67018176
Molecular FormulaC22H19F2N5O2S2
Molecular Weight487.56 g/mol
Exact Mass487.09
IUPAC NameN-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CC[C@@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cc(F)cc(F)c2)s1
InChIInChI=1S/C22H19F2N5O2S2/c1-11-18(29-5-6-32-22(29)26-11)20(30)25-10-16-3-4-28(16)21(31)17-19(33-12(2)27-17)13-7-14(23)9-15(24)8-13/h5-9,16H,3-4,10H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyLTDGRFGKBKBBNS-MRXNPFEDSA-N
XLogP4.06
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67018176) is N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N2CC[C@@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cc(F)cc(F)c2)s1.
What is the InChIKey of N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is LTDGRFGKBKBBNS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H19F2N5O2S2/c1-11-18(29-5-6-32-22(29)26-11)20(30)25-10-16-3-4-28(16)21(31)17-19(33-12(2)27-17)13-7-14(23)9-15(24)8-13/h5-9,16H,3-4,10H2,1-2H3,(H,25,30)/t16-/m1/s1.
What are the key properties of N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67018176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).