(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone

C14H10N2OS — CID 105121153

IUPAC(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
SMILESCc1nc(C(=O)c2cccc3ncccc23)cs1
InChIInChI=1S/C14H10N2OS/c1-9-16-13(8-18-9)14(17)11-4-2-6-12-10(11)5-3-7-15-12/h2-8H,1H3
InChIKeyOQAMNSUUVCQRMB-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.23
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone

(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone (PubChem CID 105121153) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
PubChem CID105121153
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
SMILESCc1nc(C(=O)c2cccc3ncccc23)cs1
InChIInChI=1S/C14H10N2OS/c1-9-16-13(8-18-9)14(17)11-4-2-6-12-10(11)5-3-7-15-12/h2-8H,1H3
InChIKeyOQAMNSUUVCQRMB-UHFFFAOYSA-N
XLogP3.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
CID 81220404
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
pyrimidin-4-yl(quinolin-5-yl)methanone
CID 81220260
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
(4-iodophenyl)-quinolin-5-ylmethanone
CID 115604846
1H-imidazol-5-yl(quinolin-5-yl)methanone
CID 59749571
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166910014
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone (CID 105121153) is (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone is Cc1nc(C(=O)c2cccc3ncccc23)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone?
The InChIKey is OQAMNSUUVCQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-9-16-13(8-18-9)14(17)11-4-2-6-12-10(11)5-3-7-15-12/h2-8H,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone?
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone has a molecular weight of 254.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 105121153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).