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

C21H19ClN6O2S2 — CID 24737677

IUPACN-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(N)nc2C(=O)N2CC[C@H]2CNC(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C21H19ClN6O2S2/c1-11-3-2-4-12(9-11)16-14(25-20(23)32-16)19(30)27-6-5-13(27)10-24-18(29)15-17(22)26-21-28(15)7-8-31-21/h2-4,7-9,13H,5-6,10H2,1H3,(H2,23,25)(H,24,29)/t13-/m0/s1
InChIKeyUPXYLINNYITONY-ZDUSSCGKSA-N
MW487.01 g/mol
LogP3.71
Rot. Bonds5

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

N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24737677) has the molecular formula C21H19ClN6O2S2 and a molecular weight of 487.01 g/mol. Its IUPAC name is N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24737677
Molecular FormulaC21H19ClN6O2S2
Molecular Weight487.01 g/mol
Exact Mass486.07
IUPAC NameN-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(N)nc2C(=O)N2CC[C@H]2CNC(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C21H19ClN6O2S2/c1-11-3-2-4-12(9-11)16-14(25-20(23)32-16)19(30)27-6-5-13(27)10-24-18(29)15-17(22)26-21-28(15)7-8-31-21/h2-4,7-9,13H,5-6,10H2,1H3,(H2,23,25)(H,24,29)/t13-/m0/s1
InChIKeyUPXYLINNYITONY-ZDUSSCGKSA-N
XLogP3.71
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.01
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 155564667
Imidazo[2,1-b]thiazole-5-carboxamide,6-methyl-N-[(3R)-1-[[2-methyl-5-(3-methylphenyl)-4-thiazolyl]carbonyl]-3-piperidinyl]-
CID 24808511
Imidazo[2,1-b]thiazole-5-carboxamide,6-methyl-N-[[(1S,3S,5S)-2-[[2-methyl-5-(3-methylphenyl)-4-thiazolyl]carbonyl]-2-azabicyclo[3.1.0]hex-3-yl]Methyl]-
CID 24853522
Imidazo[2,1-b]thiazole-5-carboxamide,N-[[(1R,2S,5S)-3-[[2-(3-hydroxypropyl)-5-(3-methylphenyl)-4-thiazolyl]carbonyl]-3-azabicyclo[3.1.0]hex-2-yl]Methyl]-6-Methyl-
CID 44563904
N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 44530229
6-amino-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 73347581
N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797001
5-(4-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798539
N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800066
N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800085
6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-isopropyl-2-(thiazol-2-yl)-5,6-dihydropyrrolo[3,4-d]imidazol-4(1H)-one
CID 86567502
US9890166, Example 24
CID 86567503

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24737677) is N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cccc(-c2sc(N)nc2C(=O)N2CC[C@H]2CNC(=O)c2c(Cl)nc3sccn23)c1.
What is the InChIKey of N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is UPXYLINNYITONY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19ClN6O2S2/c1-11-3-2-4-12(9-11)16-14(25-20(23)32-16)19(30)27-6-5-13(27)10-24-18(29)15-17(22)26-21-28(15)7-8-31-21/h2-4,7-9,13H,5-6,10H2,1H3,(H2,23,25)(H,24,29)/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 487.01 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24737677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).