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

C13H19N3O2S2 — CID 63922330

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
SMILESCc1nc2scc(C)n2c1CNC1CCCS(=O)(=O)C1
InChIInChI=1S/C13H19N3O2S2/c1-9-7-19-13-15-10(2)12(16(9)13)6-14-11-4-3-5-20(17,18)8-11/h7,11,14H,3-6,8H2,1-2H3
InChIKeyJHQYEBQSZGCKAI-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.68
Rot. Bonds3

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine (PubChem CID 63922330) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
PubChem CID63922330
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
SMILESCc1nc2scc(C)n2c1CNC1CCCS(=O)(=O)C1
InChIInChI=1S/C13H19N3O2S2/c1-9-7-19-13-15-10(2)12(16(9)13)6-14-11-4-3-5-20(17,18)8-11/h7,11,14H,3-6,8H2,1-2H3
InChIKeyJHQYEBQSZGCKAI-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

Analyze N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine with MolForge

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Related Compounds

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine
CID 43778482
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine
CID 43761487
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61171746
(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81388364
2-cyclopentyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932056
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63924723
N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-1,1-dioxothian-3-amine
CID 167896193
1-[[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 65106924
N-[(3-methylthiophen-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63922527
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 63924407
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
CID 63921924
1,1-dioxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]thian-3-amine
CID 64772175

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine (CID 63922330) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine is Cc1nc2scc(C)n2c1CNC1CCCS(=O)(=O)C1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine?
The InChIKey is JHQYEBQSZGCKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-9-7-19-13-15-10(2)12(16(9)13)6-14-11-4-3-5-20(17,18)8-11/h7,11,14H,3-6,8H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-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-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine is sourced from PubChem (CID 63922330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).