4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine

C16H18N4S — CID 103000741

IUPAC4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine
SMILESCc1nc(C)c(C(C)Nc2ccnc3cc(N)ccc23)s1
InChIInChI=1S/C16H18N4S/c1-9-16(21-11(3)19-9)10(2)20-14-6-7-18-15-8-12(17)4-5-13(14)15/h4-8,10H,17H2,1-3H3,(H,18,20)
InChIKeyHINGNDACPIQRLM-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.06
Rot. Bonds3

About 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine

4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine (PubChem CID 103000741) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine
PubChem CID103000741
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine
SMILESCc1nc(C)c(C(C)Nc2ccnc3cc(N)ccc23)s1
InChIInChI=1S/C16H18N4S/c1-9-16(21-11(3)19-9)10(2)20-14-6-7-18-15-8-12(17)4-5-13(14)15/h4-8,10H,17H2,1-3H3,(H,18,20)
InChIKeyHINGNDACPIQRLM-UHFFFAOYSA-N
XLogP4.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 55151089
4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine
CID 103001288
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
CID 61064036
6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoquinoline-5,6-diamine
CID 106947830
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine
CID 63753119
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-iodo-2-methylaniline
CID 63752277
4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 82900229
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 102757058
4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine
CID 103000719
3-bromo-4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenecarbothioamide
CID 82804641

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine (CID 103000741) is 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine is Cc1nc(C)c(C(C)Nc2ccnc3cc(N)ccc23)s1.
What is the InChIKey of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine?
The InChIKey is HINGNDACPIQRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-9-16(21-11(3)19-9)10(2)20-14-6-7-18-15-8-12(17)4-5-13(14)15/h4-8,10H,17H2,1-3H3,(H,18,20).
What are the key properties of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine?
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine has a molecular weight of 298.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine is sourced from PubChem (CID 103000741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).