4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole

C12H15NOS — CID 104791114

IUPAC4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole
SMILESCc1occc1-c1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H15NOS/c1-8-9(5-6-14-8)11-13-10(7-15-11)12(2,3)4/h5-7H,1-4H3
InChIKeyLIUUERDRRBVQGR-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.01
Rot. Bonds1

About 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole

4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole (PubChem CID 104791114) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole
PubChem CID104791114
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole
SMILESCc1occc1-c1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H15NOS/c1-8-9(5-6-14-8)11-13-10(7-15-11)12(2,3)4/h5-7H,1-4H3
InChIKeyLIUUERDRRBVQGR-UHFFFAOYSA-N
XLogP4.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole
CID 69116242
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
2-(2-methylfuran-3-yl)-1,3-benzothiazole
CID 3264944
4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine
CID 112683901
4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole
CID 113453495
4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole
CID 170887766
methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate
CID 59820228
(E)-3-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]prop-2-enoic acid
CID 170872178
2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888112
N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 104788975
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 133374454
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-carbaldehyde
CID 106886550

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole (CID 104791114) is 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole is Cc1occc1-c1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole?
The InChIKey is LIUUERDRRBVQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-9(5-6-14-8)11-13-10(7-15-11)12(2,3)4/h5-7H,1-4H3.
What are the key properties of 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole?
4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole has a molecular weight of 221.32 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-thiazole is sourced from PubChem (CID 104791114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).