2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole

C14H16FNS — CID 90707689

IUPAC2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCCC(C)c1nc(C)c(-c2cccc(F)c2)s1
InChIInChI=1S/C14H16FNS/c1-4-9(2)14-16-10(3)13(17-14)11-6-5-7-12(15)8-11/h5-9H,4H2,1-3H3
InChIKeyQTBIBZJNOCRTDU-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.77
Rot. Bonds3

About 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole

2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 90707689) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID90707689
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCCC(C)c1nc(C)c(-c2cccc(F)c2)s1
InChIInChI=1S/C14H16FNS/c1-4-9(2)14-16-10(3)13(17-14)11-6-5-7-12(15)8-11/h5-9H,4H2,1-3H3
InChIKeyQTBIBZJNOCRTDU-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114834516
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 114834505
2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 58245762
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114834511
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
CID 79838983
3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)benzoic acid
CID 116885597
2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole
CID 143754526
N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62756007
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886109
ethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133062647

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole (CID 90707689) is 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole is CCC(C)c1nc(C)c(-c2cccc(F)c2)s1.
What is the InChIKey of 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is QTBIBZJNOCRTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-4-9(2)14-16-10(3)13(17-14)11-6-5-7-12(15)8-11/h5-9H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole?
2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 249.35 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 90707689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).