6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C22H20ClN5O2S2 — CID 24996618

IUPAC6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C22H20ClN5O2S2/c1-12-4-3-5-14(10-12)18-16(25-13(2)32-18)21(30)27-7-6-15(27)11-24-20(29)17-19(23)26-22-28(17)8-9-31-22/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,24,29)
InChIKeyNPZSQOCJCVLKOU-UHFFFAOYSA-N
MW486.02 g/mol
LogP4.43
Rot. Bonds5

About 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24996618) has the molecular formula C22H20ClN5O2S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24996618
Molecular FormulaC22H20ClN5O2S2
Molecular Weight486.02 g/mol
Exact Mass485.07
IUPAC Name6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C22H20ClN5O2S2/c1-12-4-3-5-14(10-12)18-16(25-13(2)32-18)21(30)27-7-6-15(27)11-24-20(29)17-19(23)26-22-28(17)8-9-31-22/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,24,29)
InChIKeyNPZSQOCJCVLKOU-UHFFFAOYSA-N
XLogP4.43
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

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Related Compounds

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
N-[[(2R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 67018188
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67262580
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073410
N-[[(3S,3aS,6aR)-2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154461
6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67018231
N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25119659
tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate
CID 67018260
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
N-[[(1R,2S,5S)-3-[2-(3-hydroxypropyl)-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 44563904
N-[[(4R)-3-[5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073719
N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25190082

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24996618) is 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(Cl)nc3sccn23)c1.
What is the InChIKey of 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is NPZSQOCJCVLKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2S2/c1-12-4-3-5-14(10-12)18-16(25-13(2)32-18)21(30)27-7-6-15(27)11-24-20(29)17-19(23)26-22-28(17)8-9-31-22/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,24,29).
What are the key properties of 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 486.02 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24996618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).