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

C11H14N2S — CID 141136037

IUPAC4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cn2ccc(C)c2C)cs1
InChIInChI=1S/C11H14N2S/c1-8-4-5-13(9(8)2)6-11-7-14-10(3)12-11/h4-5,7H,6H2,1-3H3
InChIKeyXUSXOOGLLFKROO-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.92
Rot. Bonds2

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

4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 141136037) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID141136037
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cn2ccc(C)c2C)cs1
InChIInChI=1S/C11H14N2S/c1-8-4-5-13(9(8)2)6-11-7-14-10(3)12-11/h4-5,7H,6H2,1-3H3
InChIKeyXUSXOOGLLFKROO-UHFFFAOYSA-N
XLogP2.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
CID 63926670
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine
CID 102917439
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
CID 102917572
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 141198028
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403179
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide
CID 107919541
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole (CID 141136037) is 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole is Cc1nc(Cn2ccc(C)c2C)cs1.
What is the InChIKey of 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is XUSXOOGLLFKROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-4-5-13(9(8)2)6-11-7-14-10(3)12-11/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole?
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 206.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 141136037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).