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

C9H13N3OS2 — CID 115335464

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C9H13N3OS2/c1-7(10)5-15(13)6-8-4-12-2-3-14-9(12)11-8/h2-4,7H,5-6,10H2,1H3
InChIKeyFDYVXRQQEDAHBS-UHFFFAOYSA-N
MW243.36 g/mol
LogP0.99
Rot. Bonds4

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

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine (PubChem CID 115335464) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
PubChem CID115335464
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C9H13N3OS2/c1-7(10)5-15(13)6-8-4-12-2-3-14-9(12)11-8/h2-4,7H,5-6,10H2,1H3
InChIKeyFDYVXRQQEDAHBS-UHFFFAOYSA-N
XLogP0.99
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine
CID 115335482
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine
CID 115334701
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline
CID 115335454
N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 115334525
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine (CID 115335464) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine is CC(N)CS(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine?
The InChIKey is FDYVXRQQEDAHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c1-7(10)5-15(13)6-8-4-12-2-3-14-9(12)11-8/h2-4,7H,5-6,10H2,1H3.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine has a molecular weight of 243.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine is sourced from PubChem (CID 115335464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).