6-methylimidazo[2,1-b][1,3]thiazole-5-thiol

C6H6N2S2 — CID 142258463

IUPAC6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
SMILESCc1nc2sccn2c1S
InChIInChI=1S/C6H6N2S2/c1-4-5(9)8-2-3-10-6(8)7-4/h2-3,9H,1H3
InChIKeyQVLDUDQJRXFJCQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.99
Rot. Bonds

About 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol

6-methylimidazo[2,1-b][1,3]thiazole-5-thiol (PubChem CID 142258463) has the molecular formula C6H6N2S2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol.

Molecular Properties

Compound Name6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
PubChem CID142258463
Molecular FormulaC6H6N2S2
Molecular Weight170.26 g/mol
Exact Mass170.00
IUPAC Name6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
SMILESCc1nc2sccn2c1S
InChIInChI=1S/C6H6N2S2/c1-4-5(9)8-2-3-10-6(8)7-4/h2-3,9H,1H3
InChIKeyQVLDUDQJRXFJCQ-UHFFFAOYSA-N
XLogP1.99
TPSA17.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 67369478
1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)cyclopropan-1-amine
CID 96623602
N-[1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethyl]propan-2-amine
CID 115977410
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal
CID 79331317
3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid
CID 82617758
(E)-2-cyano-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 43244886
6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 82363770
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
N-[1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethyl]propan-1-amine
CID 115977393
4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
CID 15005409
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171

Frequently Asked Questions

What is the IUPAC name of 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol?
The IUPAC name of 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol (CID 142258463) is 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol.
What is the SMILES notation for 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol?
The canonical SMILES for 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol is Cc1nc2sccn2c1S.
What is the InChIKey of 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol?
The InChIKey is QVLDUDQJRXFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S2/c1-4-5(9)8-2-3-10-6(8)7-4/h2-3,9H,1H3.
What are the key properties of 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol?
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol has a molecular weight of 170.26 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylimidazo[2,1-b][1,3]thiazole-5-thiol is sourced from PubChem (CID 142258463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).