4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione

C9H11N3S2 — CID 81335426

IUPAC4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione
SMILESCc1ncc(Cn2c(C)c[nH]c2=S)s1
InChIInChI=1S/C9H11N3S2/c1-6-3-11-9(13)12(6)5-8-4-10-7(2)14-8/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyLAQNZKHRJBWQFK-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.67
Rot. Bonds2

About 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione

4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione (PubChem CID 81335426) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione
PubChem CID81335426
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione
SMILESCc1ncc(Cn2c(C)c[nH]c2=S)s1
InChIInChI=1S/C9H11N3S2/c1-6-3-11-9(13)12(6)5-8-4-10-7(2)14-8/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyLAQNZKHRJBWQFK-UHFFFAOYSA-N
XLogP2.67
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-imidazole-2-thione
CID 106407585
7-chloro-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-benzimidazole-2-thione
CID 113458951
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
2-chloro-1-[2,5-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone
CID 54962460
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate
CID 65171351
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;(2-methyl-1,3-thiazol-5-yl)methanamine
CID 159401525
2-methoxy-6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-one
CID 79375942
5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 79292805
1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylic acid
CID 106717156

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione (CID 81335426) is 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione is Cc1ncc(Cn2c(C)c[nH]c2=S)s1.
What is the InChIKey of 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is LAQNZKHRJBWQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6-3-11-9(13)12(6)5-8-4-10-7(2)14-8/h3-4H,5H2,1-2H3,(H,11,13).
What are the key properties of 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione?
4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 225.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81335426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).