4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol

C14H21N3OS2 — CID 111436793

IUPAC4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol
SMILESCc1cn2c(CNCC3(O)CCSCC3)c(C)nc2s1
InChIInChI=1S/C14H21N3OS2/c1-10-8-17-12(11(2)16-13(17)20-10)7-15-9-14(18)3-5-19-6-4-14/h8,15,18H,3-7,9H2,1-2H3
InChIKeyMDMYMUUAGQQQAE-UHFFFAOYSA-N
MW311.48 g/mol
LogP2.36
Rot. Bonds4

About 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol

4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol (PubChem CID 111436793) has the molecular formula C14H21N3OS2 and a molecular weight of 311.48 g/mol. Its IUPAC name is 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol.

Molecular Properties

Compound Name4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol
PubChem CID111436793
Molecular FormulaC14H21N3OS2
Molecular Weight311.48 g/mol
Exact Mass311.11
IUPAC Name4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol
SMILESCc1cn2c(CNCC3(O)CCSCC3)c(C)nc2s1
InChIInChI=1S/C14H21N3OS2/c1-10-8-17-12(11(2)16-13(17)20-10)7-15-9-14(18)3-5-19-6-4-14/h8,15,18H,3-7,9H2,1-2H3
InChIKeyMDMYMUUAGQQQAE-UHFFFAOYSA-N
XLogP2.36
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol?
The IUPAC name of 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol (CID 111436793) is 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol.
What is the SMILES notation for 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol?
The canonical SMILES for 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol is Cc1cn2c(CNCC3(O)CCSCC3)c(C)nc2s1.
What is the InChIKey of 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol?
The InChIKey is MDMYMUUAGQQQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS2/c1-10-8-17-12(11(2)16-13(17)20-10)7-15-9-14(18)3-5-19-6-4-14/h8,15,18H,3-7,9H2,1-2H3.
What are the key properties of 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol?
4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol has a molecular weight of 311.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol is sourced from PubChem (CID 111436793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).