N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide

C20H15N5O3S2 — CID 43070381

IUPACN-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cs1
InChIInChI=1S/C20H15N5O3S2/c1-11(26)21-20-23-16(10-30-20)19(28)25-24-18(27)13-9-15(17-7-4-8-29-17)22-14-6-3-2-5-12(13)14/h2-10H,1H3,(H,24,27)(H,25,28)(H,21,23,26)
InChIKeyFQGDYTSTOKAIKD-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.45
Rot. Bonds4

About N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43070381) has the molecular formula C20H15N5O3S2 and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43070381
Molecular FormulaC20H15N5O3S2
Molecular Weight437.51 g/mol
Exact Mass437.06
IUPAC NameN-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cs1
InChIInChI=1S/C20H15N5O3S2/c1-11(26)21-20-23-16(10-30-20)19(28)25-24-18(27)13-9-15(17-7-4-8-29-17)22-14-6-3-2-5-12(13)14/h2-10H,1H3,(H,24,27)(H,25,28)(H,21,23,26)
InChIKeyFQGDYTSTOKAIKD-UHFFFAOYSA-N
XLogP3.45
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide 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

N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 71592345
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
2-(5-methylfuran-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 5086616
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4155163
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 16562926
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide (CID 43070381) is N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cs1.
What is the InChIKey of N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FQGDYTSTOKAIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S2/c1-11(26)21-20-23-16(10-30-20)19(28)25-24-18(27)13-9-15(17-7-4-8-29-17)22-14-6-3-2-5-12(13)14/h2-10H,1H3,(H,24,27)(H,25,28)(H,21,23,26).
What are the key properties of N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 437.51 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43070381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).