(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol

C12H10ClNO2S — CID 107126193

IUPAC(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ncc(Cl)s2)Oc2ccccc21
InChIInChI=1S/C12H10ClNO2S/c13-11-6-14-12(17-11)10-5-8(15)7-3-1-2-4-9(7)16-10/h1-4,6,8,10,15H,5H2/t8-,10?/m0/s1
InChIKeyOFMNYXNGHZUQDO-PEHGTWAWSA-N
MW267.74 g/mol
LogP3.35
Rot. Bonds1

About (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 107126193) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID107126193
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ncc(Cl)s2)Oc2ccccc21
InChIInChI=1S/C12H10ClNO2S/c13-11-6-14-12(17-11)10-5-8(15)7-3-1-2-4-9(7)16-10/h1-4,6,8,10,15H,5H2/t8-,10?/m0/s1
InChIKeyOFMNYXNGHZUQDO-PEHGTWAWSA-N
XLogP3.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2,2-dimethyl-5-(1,3-thiazol-2-ylmethoxy)-3,4-dihydrochromen-4-ol
CID 164631514
(4S)-2,2-dimethyl-5-[(5-methyl-1,3-thiazol-2-yl)methoxy]-3,4-dihydrochromen-4-ol
CID 164642907
(1S)-1-[4-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]ethanol
CID 80311693
1-[5-Fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]ethanol
CID 80311948
1-[4-Fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]ethanol
CID 80312030
(1R)-1-[5-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]ethanol
CID 80312128
(1S)-1-[5-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]ethanol
CID 80312310
(1R)-1-[4-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]ethanol
CID 80312934
1,3-Thiazol-2-yl-[2-(trifluoromethoxy)phenyl]methanol
CID 104077982
(5-Fluoro-2-methoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104078020
(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948033
(4S)-6-fluoro-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948144

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 107126193) is (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2ncc(Cl)s2)Oc2ccccc21.
What is the InChIKey of (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is OFMNYXNGHZUQDO-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-11-6-14-12(17-11)10-5-8(15)7-3-1-2-4-9(7)16-10/h1-4,6,8,10,15H,5H2/t8-,10?/m0/s1.
What are the key properties of (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 267.74 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 107126193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).