6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C18H18ClN3O3S — CID 26392831

IUPAC6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(C[C@H]1COCCO1)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C18H18ClN3O3S/c1-21(8-14-10-24-6-7-25-14)17(23)16-11-26-18-20-15(9-22(16)18)12-2-4-13(19)5-3-12/h2-5,9,11,14H,6-8,10H2,1H3/t14-/m0/s1
InChIKeyWXPOPSHXDMRFQO-AWEZNQCLSA-N
MW391.88 g/mol
LogP3.20
Rot. Bonds4

About 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 26392831) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID26392831
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(C[C@H]1COCCO1)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C18H18ClN3O3S/c1-21(8-14-10-24-6-7-25-14)17(23)16-11-26-18-20-15(9-22(16)18)12-2-4-13(19)5-3-12/h2-5,9,11,14H,6-8,10H2,1H3/t14-/m0/s1
InChIKeyWXPOPSHXDMRFQO-AWEZNQCLSA-N
XLogP3.20
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45212982
6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95199757
6-(4-chlorophenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42511039
6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 25219646
6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42519951
6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25278725
N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270495
2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3996689
6-(4-chlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42520390
6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 86285322
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 42197445

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 26392831) is 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is CN(C[C@H]1COCCO1)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is WXPOPSHXDMRFQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-21(8-14-10-24-6-7-25-14)17(23)16-11-26-18-20-15(9-22(16)18)12-2-4-13(19)5-3-12/h2-5,9,11,14H,6-8,10H2,1H3/t14-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 391.88 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 26392831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).