(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol

C16H16ClNO2S — CID 114724837

IUPAC(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
SMILESCC(C)(C)c1nc(C(O)c2cc3cccc(Cl)c3o2)cs1
InChIInChI=1S/C16H16ClNO2S/c1-16(2,3)15-18-11(8-21-15)13(19)12-7-9-5-4-6-10(17)14(9)20-12/h4-8,13,19H,1-3H3
InChIKeyAKQOUCQFBSUBCQ-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.92
Rot. Bonds2

About (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol

(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol (PubChem CID 114724837) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
PubChem CID114724837
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
SMILESCC(C)(C)c1nc(C(O)c2cc3cccc(Cl)c3o2)cs1
InChIInChI=1S/C16H16ClNO2S/c1-16(2,3)15-18-11(8-21-15)13(19)12-7-9-5-4-6-10(17)14(9)20-12/h4-8,13,19H,1-3H3
InChIKeyAKQOUCQFBSUBCQ-UHFFFAOYSA-N
XLogP4.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724447
(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408290
(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105130423
1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723580
(2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol
CID 107559682
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758
(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol
CID 113472367
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114724689
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809869
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol (CID 114724837) is (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol is CC(C)(C)c1nc(C(O)c2cc3cccc(Cl)c3o2)cs1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is AKQOUCQFBSUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-16(2,3)15-18-11(8-21-15)13(19)12-7-9-5-4-6-10(17)14(9)20-12/h4-8,13,19H,1-3H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol?
(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol has a molecular weight of 321.83 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).