2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole

C12H17N3OS — CID 56755097

IUPAC2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCOCCn1ccnc1-c1nc(C(C)C)cs1
InChIInChI=1S/C12H17N3OS/c1-9(2)10-8-17-12(14-10)11-13-4-5-15(11)6-7-16-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeySCLPGLMMQHPVQF-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.78
Rot. Bonds5

About 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole

2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 56755097) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID56755097
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCOCCn1ccnc1-c1nc(C(C)C)cs1
InChIInChI=1S/C12H17N3OS/c1-9(2)10-8-17-12(14-10)11-13-4-5-15(11)6-7-16-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeySCLPGLMMQHPVQF-UHFFFAOYSA-N
XLogP2.78
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole (CID 56755097) is 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole is COCCn1ccnc1-c1nc(C(C)C)cs1.
What is the InChIKey of 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is SCLPGLMMQHPVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9(2)10-8-17-12(14-10)11-13-4-5-15(11)6-7-16-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 251.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)imidazol-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 56755097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).