3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide

C19H16N4OS2 — CID 110426528

IUPAC3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)Nc2cccc3cccnc23)s1
InChIInChI=1S/C19H16N4OS2/c20-19-23-18(14-7-3-11-25-14)15(26-19)8-9-16(24)22-13-6-1-4-12-5-2-10-21-17(12)13/h1-7,10-11H,8-9H2,(H2,20,23)(H,22,24)
InChIKeyHXQWMYDCMLPMPK-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.57
Rot. Bonds5

About 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide (PubChem CID 110426528) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide
PubChem CID110426528
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)Nc2cccc3cccnc23)s1
InChIInChI=1S/C19H16N4OS2/c20-19-23-18(14-7-3-11-25-14)15(26-19)8-9-16(24)22-13-6-1-4-12-5-2-10-21-17(12)13/h1-7,10-11H,8-9H2,(H2,20,23)(H,22,24)
InChIKeyHXQWMYDCMLPMPK-UHFFFAOYSA-N
XLogP4.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110428723
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626452
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110627746
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide
CID 110610116
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110374480
N-quinolin-8-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 17447095
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110412313
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110408416
N-quinolin-8-ylundecanamide
CID 3567928
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide (CID 110426528) is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide is Nc1nc(-c2cccs2)c(CCC(=O)Nc2cccc3cccnc23)s1.
What is the InChIKey of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide?
The InChIKey is HXQWMYDCMLPMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c20-19-23-18(14-7-3-11-25-14)15(26-19)8-9-16(24)22-13-6-1-4-12-5-2-10-21-17(12)13/h1-7,10-11H,8-9H2,(H2,20,23)(H,22,24).
What are the key properties of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide?
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide has a molecular weight of 380.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 110426528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).