4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole

C15H27NS — CID 118579683

IUPAC4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole
SMILESCCc1nc(C(C)(C)CC)sc1C(C)(C)CC
InChIInChI=1S/C15H27NS/c1-8-11-12(14(4,5)9-2)17-13(16-11)15(6,7)10-3/h8-10H2,1-7H3
InChIKeyYVTQPHHDSPFBLZ-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.08
Rot. Bonds5

About 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole

4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole (PubChem CID 118579683) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole
PubChem CID118579683
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole
SMILESCCc1nc(C(C)(C)CC)sc1C(C)(C)CC
InChIInChI=1S/C15H27NS/c1-8-11-12(14(4,5)9-2)17-13(16-11)15(6,7)10-3/h8-10H2,1-7H3
InChIKeyYVTQPHHDSPFBLZ-UHFFFAOYSA-N
XLogP5.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropan-1-ol
CID 116865506
2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
CID 118900466
N-[[4-ethyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841225
2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 82155435
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 61332918
2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
CID 163467504
2-(2-methylbutan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
CID 142339795
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
1-[2-(2-ethoxypropan-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730710
6-chloro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 70828604
4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole
CID 68746831
6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 147060099

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole (CID 118579683) is 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole is CCc1nc(C(C)(C)CC)sc1C(C)(C)CC.
What is the InChIKey of 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is YVTQPHHDSPFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-8-11-12(14(4,5)9-2)17-13(16-11)15(6,7)10-3/h8-10H2,1-7H3.
What are the key properties of 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole?
4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 253.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-bis(2-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 118579683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).