5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine

C15H16N4S — CID 106035847

IUPAC5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
SMILESCc1nc(CCNc2ccc(N)c3ncccc23)cs1
InChIInChI=1S/C15H16N4S/c1-10-19-11(9-20-10)6-8-17-14-5-4-13(16)15-12(14)3-2-7-18-15/h2-5,7,9,17H,6,8,16H2,1H3
InChIKeyFOBBHAPSEAMULR-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.24
Rot. Bonds4

About 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine

5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine (PubChem CID 106035847) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
PubChem CID106035847
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
SMILESCc1nc(CCNc2ccc(N)c3ncccc23)cs1
InChIInChI=1S/C15H16N4S/c1-10-19-11(9-20-10)6-8-17-14-5-4-13(16)15-12(14)3-2-7-18-15/h2-5,7,9,17H,6,8,16H2,1H3
InChIKeyFOBBHAPSEAMULR-UHFFFAOYSA-N
XLogP3.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
CID 43449441
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
CID 54862876
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106035993
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine
CID 133468064
5-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,8-diamine
CID 62996909
5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204
1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106036005
8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
CID 43450134

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine?
The IUPAC name of 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine (CID 106035847) is 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine.
What is the SMILES notation for 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine?
The canonical SMILES for 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine is Cc1nc(CCNc2ccc(N)c3ncccc23)cs1.
What is the InChIKey of 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine?
The InChIKey is FOBBHAPSEAMULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-19-11(9-20-10)6-8-17-14-5-4-13(16)15-12(14)3-2-7-18-15/h2-5,7,9,17H,6,8,16H2,1H3.
What are the key properties of 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine?
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine is sourced from PubChem (CID 106035847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).