[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C10H15N3OS2 — CID 63855809

IUPAC[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCOCCCSc1nc2sccn2c1CN
InChIInChI=1S/C10H15N3OS2/c1-14-4-2-5-15-9-8(7-11)13-3-6-16-10(13)12-9/h3,6H,2,4-5,7,11H2,1H3
InChIKeyQYNDUTPGBRDZOM-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.98
Rot. Bonds6

About [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 63855809) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID63855809
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCOCCCSc1nc2sccn2c1CN
InChIInChI=1S/C10H15N3OS2/c1-14-4-2-5-15-9-8(7-11)13-3-6-16-10(13)12-9/h3,6H,2,4-5,7,11H2,1H3
InChIKeyQYNDUTPGBRDZOM-UHFFFAOYSA-N
XLogP1.98
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6-propylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 39194776
1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63808708
2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 63818995
methyl 3-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropanoate
CID 63809605
3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66128131
[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63807450
[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63809988
[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 55238469
2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
CID 63809975
(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82503893
[6-(2,5-dimethylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63806552
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 63855809) is [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is COCCCSc1nc2sccn2c1CN.
What is the InChIKey of [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is QYNDUTPGBRDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-14-4-2-5-15-9-8(7-11)13-3-6-16-10(13)12-9/h3,6H,2,4-5,7,11H2,1H3.
What are the key properties of [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 63855809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).