2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole

C12H16N2S — CID 63926670

IUPAC2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(Cn2cc(C)c(C)c2C)cs1
InChIInChI=1S/C12H16N2S/c1-8-5-14(10(3)9(8)2)6-12-7-15-11(4)13-12/h5,7H,6H2,1-4H3
InChIKeyNGSYPHGFBFHFLA-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.23
Rot. Bonds2

About 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole

2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole (PubChem CID 63926670) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
PubChem CID63926670
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(Cn2cc(C)c(C)c2C)cs1
InChIInChI=1S/C12H16N2S/c1-8-5-14(10(3)9(8)2)6-12-7-15-11(4)13-12/h5,7H,6H2,1-4H3
InChIKeyNGSYPHGFBFHFLA-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine
CID 114708165
N-(1-methoxypropan-2-yl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566093
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole (CID 63926670) is 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole is Cc1nc(Cn2cc(C)c(C)c2C)cs1.
What is the InChIKey of 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole?
The InChIKey is NGSYPHGFBFHFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8-5-14(10(3)9(8)2)6-12-7-15-11(4)13-12/h5,7H,6H2,1-4H3.
What are the key properties of 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole?
2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole has a molecular weight of 220.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 63926670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).