5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole

C8H9N3S — CID 130892014

IUPAC5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1Cn1ccnc1
InChIInChI=1S/C8H9N3S/c1-7-8(12-6-10-7)4-11-3-2-9-5-11/h2-3,5-6H,4H2,1H3
InChIKeyYFANGEQBQNCQDP-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.70
Rot. Bonds2

About 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole

5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole (PubChem CID 130892014) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole
PubChem CID130892014
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1Cn1ccnc1
InChIInChI=1S/C8H9N3S/c1-7-8(12-6-10-7)4-11-3-2-9-5-11/h2-3,5-6H,4H2,1H3
InChIKeyYFANGEQBQNCQDP-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

5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 131892163
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 167989461
N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 66151607
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole
CID 22285692
4-hydrazinyl-6-imidazol-1-yl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazin-2-amine
CID 80906593
5-ethyl-2-(imidazol-1-ylmethyl)-1,3-thiazole
CID 130847397
2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole
CID 1488034
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
CID 131091988
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole (CID 130892014) is 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole is Cc1ncsc1Cn1ccnc1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole?
The InChIKey is YFANGEQBQNCQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-7-8(12-6-10-7)4-11-3-2-9-5-11/h2-3,5-6H,4H2,1H3.
What are the key properties of 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole?
5-(imidazol-1-ylmethyl)-4-methyl-1,3-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 5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 130892014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).