(4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol

C14H12N2O2S — CID 166368365

IUPAC(4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol
SMILESCOc1nsc(CO)c1-c1cncc2ccccc12
InChIInChI=1S/C14H12N2O2S/c1-18-14-13(12(8-17)19-16-14)11-7-15-6-9-4-2-3-5-10(9)11/h2-7,17H,8H2,1H3
InChIKeySVSWASOBCFJMQC-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.86
Rot. Bonds3

About (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol

(4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol (PubChem CID 166368365) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol
PubChem CID166368365
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol
SMILESCOc1nsc(CO)c1-c1cncc2ccccc12
InChIInChI=1S/C14H12N2O2S/c1-18-14-13(12(8-17)19-16-14)11-7-15-6-9-4-2-3-5-10(9)11/h2-7,17H,8H2,1H3
InChIKeySVSWASOBCFJMQC-UHFFFAOYSA-N
XLogP2.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol
CID 166368380
2,1-benzothiazol-3-ylmethanol
CID 83678766
[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol
CID 146145103
2-isoquinolin-4-yl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360810
2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 39781804
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435
isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol
CID 105097605
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 113420193
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
4-(16-naphthalen-1-yl-12,22-dithiahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl)isoquinoline
CID 118227535
2-isoquinolin-4-yl-5-propyl-1,3,4-thiadiazole
CID 167745080

Frequently Asked Questions

What is the IUPAC name of (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol?
The IUPAC name of (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol (CID 166368365) is (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol is COc1nsc(CO)c1-c1cncc2ccccc12.
What is the InChIKey of (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol?
The InChIKey is SVSWASOBCFJMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-18-14-13(12(8-17)19-16-14)11-7-15-6-9-4-2-3-5-10(9)11/h2-7,17H,8H2,1H3.
What are the key properties of (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol?
(4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol has a molecular weight of 272.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 166368365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).