N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine

C17H19N3OS — CID 89207398

IUPACN-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc(CC)c3ccc(OC)cc3n2)cs1
InChIInChI=1S/C17H19N3OS/c1-4-11-8-15(16-10-22-17(20-16)18-5-2)19-14-9-12(21-3)6-7-13(11)14/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyNQMJDVGZPIQNHX-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.36
Rot. Bonds5

About N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine

N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine (PubChem CID 89207398) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine
PubChem CID89207398
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc(CC)c3ccc(OC)cc3n2)cs1
InChIInChI=1S/C17H19N3OS/c1-4-11-8-15(16-10-22-17(20-16)18-5-2)19-14-9-12(21-3)6-7-13(11)14/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyNQMJDVGZPIQNHX-UHFFFAOYSA-N
XLogP4.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethyl-7-methoxyquinolin-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 70863277
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one
CID 88978515
N-ethyl-7-methoxy-2-phenylquinolin-4-amine
CID 144979819
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol
CID 88583719
(2S,4R)-1-(2-hydroxyacetyl)-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carboxylic acid
CID 59441297
4-ethyl-7-methoxychromene-2-thione
CID 39732354
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine (CID 89207398) is N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine is CCNc1nc(-c2cc(CC)c3ccc(OC)cc3n2)cs1.
What is the InChIKey of N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is NQMJDVGZPIQNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-4-11-8-15(16-10-22-17(20-16)18-5-2)19-14-9-12(21-3)6-7-13(11)14/h6-10H,4-5H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine?
N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89207398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).