2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone

C12H15N3OS — CID 63975439

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)Cc1nc(C)cs1
InChIInChI=1S/C12H15N3OS/c1-3-5-15-6-4-13-12(15)10(16)7-11-14-9(2)8-17-11/h4,6,8H,3,5,7H2,1-2H3
InChIKeyGKMKPYUBDGHGFB-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone

2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone (PubChem CID 63975439) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone
PubChem CID63975439
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)Cc1nc(C)cs1
InChIInChI=1S/C12H15N3OS/c1-3-5-15-6-4-13-12(15)10(16)7-11-14-9(2)8-17-11/h4,6,8H,3,5,7H2,1-2H3
InChIKeyGKMKPYUBDGHGFB-UHFFFAOYSA-N
XLogP2.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
CID 105100591
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
1-(1-propylimidazol-2-yl)heptan-1-one
CID 114972716
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
CID 65129636
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571781
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
CID 79807838
3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100680
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685745

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone (CID 63975439) is 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1C(=O)Cc1nc(C)cs1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone?
The InChIKey is GKMKPYUBDGHGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-5-15-6-4-13-12(15)10(16)7-11-14-9(2)8-17-11/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone?
2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone has a molecular weight of 249.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 63975439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).