4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole

C8H9N3S — CID 167974093

IUPAC4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole
SMILESCc1nccn1Cc1cnsc1
InChIInChI=1S/C8H9N3S/c1-7-9-2-3-11(7)5-8-4-10-12-6-8/h2-4,6H,5H2,1H3
InChIKeyYGIGVHGFTRDKMO-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.70
Rot. Bonds2

About 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole

4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole (PubChem CID 167974093) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole
PubChem CID167974093
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole
SMILESCc1nccn1Cc1cnsc1
InChIInChI=1S/C8H9N3S/c1-7-9-2-3-11(7)5-8-4-10-12-6-8/h2-4,6H,5H2,1H3
InChIKeyYGIGVHGFTRDKMO-UHFFFAOYSA-N
XLogP1.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 158634472
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CID 139198488
4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole
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4-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 43137964
ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde
CID 155737371
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]imidazole
CID 170203339
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
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CID 82078786
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CID 115557276

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole (CID 167974093) is 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole is Cc1nccn1Cc1cnsc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole?
The InChIKey is YGIGVHGFTRDKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-7-9-2-3-11(7)5-8-4-10-12-6-8/h2-4,6H,5H2,1H3.
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole?
4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole has a molecular weight of 179.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole is sourced from PubChem (CID 167974093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).