N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine

C13H19N3O2S2 — CID 43679927

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCc1cn2c(CNC3(C)CCS(=O)(=O)C3)c(C)nc2s1
InChIInChI=1S/C13H19N3O2S2/c1-9-7-16-11(10(2)15-12(16)19-9)6-14-13(3)4-5-20(17,18)8-13/h7,14H,4-6,8H2,1-3H3
InChIKeyBMDHBKDZMFZACZ-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.68
Rot. Bonds3

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43679927) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43679927
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCc1cn2c(CNC3(C)CCS(=O)(=O)C3)c(C)nc2s1
InChIInChI=1S/C13H19N3O2S2/c1-9-7-16-11(10(2)15-12(16)19-9)6-14-13(3)4-5-20(17,18)8-13/h7,14H,4-6,8H2,1-3H3
InChIKeyBMDHBKDZMFZACZ-UHFFFAOYSA-N
XLogP1.68
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 43679927) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine is Cc1cn2c(CNC3(C)CCS(=O)(=O)C3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is BMDHBKDZMFZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-9-7-16-11(10(2)15-12(16)19-9)6-14-13(3)4-5-20(17,18)8-13/h7,14H,4-6,8H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 313.45 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).