N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine

C15H15N3OS — CID 116812463

IUPACN-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine
SMILESCOCCNc1ncc(-c2cccc3cccnc23)s1
InChIInChI=1S/C15H15N3OS/c1-19-9-8-17-15-18-10-13(20-15)12-6-2-4-11-5-3-7-16-14(11)12/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyFLWKKXJCBGRNFC-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.42
Rot. Bonds5

About N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine (PubChem CID 116812463) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine
PubChem CID116812463
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine
SMILESCOCCNc1ncc(-c2cccc3cccnc23)s1
InChIInChI=1S/C15H15N3OS/c1-19-9-8-17-15-18-10-13(20-15)12-6-2-4-11-5-3-7-16-14(11)12/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyFLWKKXJCBGRNFC-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 116812397
3-[2-(2-methoxyethylamino)-1,3-thiazol-5-yl]benzonitrile
CID 116812492
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 8962162
5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
CID 116811986
N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
CID 62597332
N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine
CID 65268066
5-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812431
methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 81435793
5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812434
N-(2-methoxyethyl)-5-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
CID 116812404
N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 65268176
2-[2-(2-methoxyethylamino)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]benzonitrile
CID 58688483

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine (CID 116812463) is N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine is COCCNc1ncc(-c2cccc3cccnc23)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine?
The InChIKey is FLWKKXJCBGRNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-9-8-17-15-18-10-13(20-15)12-6-2-4-11-5-3-7-16-14(11)12/h2-7,10H,8-9H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).