[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C13H13N3S2 — CID 63809988

IUPAC[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCc1ccccc1Sc1nc2sccn2c1CN
InChIInChI=1S/C13H13N3S2/c1-9-4-2-3-5-11(9)18-12-10(8-14)16-6-7-17-13(16)15-12/h2-7H,8,14H2,1H3
InChIKeyVCWDMTVEDDYJIY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.31
Rot. Bonds3

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

[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 63809988) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID63809988
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCc1ccccc1Sc1nc2sccn2c1CN
InChIInChI=1S/C13H13N3S2/c1-9-4-2-3-5-11(9)18-12-10(8-14)16-6-7-17-13(16)15-12/h2-7H,8,14H2,1H3
InChIKeyVCWDMTVEDDYJIY-UHFFFAOYSA-N
XLogP3.31
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2,5-dimethylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63806552
[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63807450
[6-(2-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 55239467
[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 55238469
(6-propylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 39194776
[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63855809
(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82503893
1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820287
1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818822
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515
[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476743

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 63809988) is [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is Cc1ccccc1Sc1nc2sccn2c1CN.
What is the InChIKey of [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is VCWDMTVEDDYJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-9-4-2-3-5-11(9)18-12-10(8-14)16-6-7-17-13(16)15-12/h2-7H,8,14H2,1H3.
What are the key properties of [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 63809988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).