(3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol

C9H8ClNOS2 — CID 130604815

IUPAC(3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
SMILESCc1cc(C(O)c2sccc2Cl)sn1
InChIInChI=1S/C9H8ClNOS2/c1-5-4-7(14-11-5)8(12)9-6(10)2-3-13-9/h2-4,8,12H,1H3
InChIKeyOEDQFOPPIXMIGM-UHFFFAOYSA-N
MW245.76 g/mol
LogP3.25
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol

(3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol (PubChem CID 130604815) has the molecular formula C9H8ClNOS2 and a molecular weight of 245.76 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
PubChem CID130604815
Molecular FormulaC9H8ClNOS2
Molecular Weight245.76 g/mol
Exact Mass244.97
IUPAC Name(3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
SMILESCc1cc(C(O)c2sccc2Cl)sn1
InChIInChI=1S/C9H8ClNOS2/c1-5-4-7(14-11-5)8(12)9-6(10)2-3-13-9/h2-4,8,12H,1H3
InChIKeyOEDQFOPPIXMIGM-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130653495
(5-Chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol
CID 105119740
(3-Chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 107361965
(3-Chlorothiophen-2-yl)-(4-methylthiadiazol-5-yl)methanol
CID 107361976
(3-Chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol
CID 107361984
(3-Methyl-1,2-thiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 130604946
(5-Chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130619430
(5-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130625390
(5-Bromothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130626593
1,2-Thiazol-3-yl(thiophen-2-yl)methanol
CID 130658815
(3-Methyl-1,2-thiazol-5-yl)-(5-methylthiophen-2-yl)methanol
CID 130847439
(4-Chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol
CID 130856980

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol (CID 130604815) is (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol is Cc1cc(C(O)c2sccc2Cl)sn1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol?
The InChIKey is OEDQFOPPIXMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS2/c1-5-4-7(14-11-5)8(12)9-6(10)2-3-13-9/h2-4,8,12H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol?
(3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol has a molecular weight of 245.76 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130604815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).