(4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol

C16H18ClNO2S — CID 104949096

IUPAC(4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)(C)c1nc(C2C[C@@H](O)c3cc(Cl)ccc3O2)cs1
InChIInChI=1S/C16H18ClNO2S/c1-16(2,3)15-18-11(8-21-15)14-7-12(19)10-6-9(17)4-5-13(10)20-14/h4-6,8,12,14,19H,7H2,1-3H3/t12-,14?/m1/s1
InChIKeyYWRFOFQJXKDDMA-PUODRLBUSA-N
MW323.85 g/mol
LogP4.65
Rot. Bonds1

About (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949096) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949096
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name(4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)(C)c1nc(C2C[C@@H](O)c3cc(Cl)ccc3O2)cs1
InChIInChI=1S/C16H18ClNO2S/c1-16(2,3)15-18-11(8-21-15)14-7-12(19)10-6-9(17)4-5-13(10)20-14/h4-6,8,12,14,19H,7H2,1-3H3/t12-,14?/m1/s1
InChIKeyYWRFOFQJXKDDMA-PUODRLBUSA-N
XLogP4.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol with MolForge

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Related Compounds

6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714492
(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949002
(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 104949114
(4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946037
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol (CID 104949096) is (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol is CC(C)(C)c1nc(C2C[C@@H](O)c3cc(Cl)ccc3O2)cs1.
What is the InChIKey of (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YWRFOFQJXKDDMA-PUODRLBUSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-16(2,3)15-18-11(8-21-15)14-7-12(19)10-6-9(17)4-5-13(10)20-14/h4-6,8,12,14,19H,7H2,1-3H3/t12-,14?/m1/s1.
What are the key properties of (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 323.85 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).