3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine

C10H15N3OS2 — CID 115335482

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C10H15N3OS2/c1-8(4-11)6-16(14)7-9-5-13-2-3-15-10(13)12-9/h2-3,5,8H,4,6-7,11H2,1H3
InChIKeyCKQUWEJPCKEUKW-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.24
Rot. Bonds5

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine (PubChem CID 115335482) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine
PubChem CID115335482
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C10H15N3OS2/c1-8(4-11)6-16(14)7-9-5-13-2-3-15-10(13)12-9/h2-3,5,8H,4,6-7,11H2,1H3
InChIKeyCKQUWEJPCKEUKW-UHFFFAOYSA-N
XLogP1.24
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
CID 115335464
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
CID 116574100
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline
CID 115335454
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
CID 115335436
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine (CID 115335482) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine is CC(CN)CS(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine?
The InChIKey is CKQUWEJPCKEUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-8(4-11)6-16(14)7-9-5-13-2-3-15-10(13)12-9/h2-3,5,8H,4,6-7,11H2,1H3.
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115335482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).