3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide

C18H20ClN3OS2 — CID 112804711

IUPAC3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide
SMILESCc1cn2c(CN(C)C(=O)CCSc3ccccc3Cl)c(C)nc2s1
InChIInChI=1S/C18H20ClN3OS2/c1-12-10-22-15(13(2)20-18(22)25-12)11-21(3)17(23)8-9-24-16-7-5-4-6-14(16)19/h4-7,10H,8-9,11H2,1-3H3
InChIKeySCKXLJKSJNBURE-UHFFFAOYSA-N
MW393.97 g/mol
LogP4.81
Rot. Bonds6

About 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide

3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide (PubChem CID 112804711) has the molecular formula C18H20ClN3OS2 and a molecular weight of 393.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide
PubChem CID112804711
Molecular FormulaC18H20ClN3OS2
Molecular Weight393.97 g/mol
Exact Mass393.07
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide
SMILESCc1cn2c(CN(C)C(=O)CCSc3ccccc3Cl)c(C)nc2s1
InChIInChI=1S/C18H20ClN3OS2/c1-12-10-22-15(13(2)20-18(22)25-12)11-21(3)17(23)8-9-24-16-7-5-4-6-14(16)19/h4-7,10H,8-9,11H2,1-3H3
InChIKeySCKXLJKSJNBURE-UHFFFAOYSA-N
XLogP4.81
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.97
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzhydryloxy-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 112804816
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide
CID 112804827
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 112804733
2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 71943894
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
CID 112804713
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
CID 112804740
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 112806596
1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 75404048
2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide
CID 112804858
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 154762477
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 154736217
2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467972

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide (CID 112804711) is 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide is Cc1cn2c(CN(C)C(=O)CCSc3ccccc3Cl)c(C)nc2s1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide?
The InChIKey is SCKXLJKSJNBURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS2/c1-12-10-22-15(13(2)20-18(22)25-12)11-21(3)17(23)8-9-24-16-7-5-4-6-14(16)19/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide?
3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide has a molecular weight of 393.97 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 112804711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).