1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea

C18H20N4OS — CID 47042479

IUPAC1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
SMILESCc1csc(CCNC(=O)NCCc2cccc3cccnc23)n1
InChIInChI=1S/C18H20N4OS/c1-13-12-24-16(22-13)8-11-21-18(23)20-10-7-15-5-2-4-14-6-3-9-19-17(14)15/h2-6,9,12H,7-8,10-11H2,1H3,(H2,20,21,23)
InChIKeyBZKJKPFARXFNLQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea

1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea (PubChem CID 47042479) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
PubChem CID47042479
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
SMILESCc1csc(CCNC(=O)NCCc2cccc3cccnc23)n1
InChIInChI=1S/C18H20N4OS/c1-13-12-24-16(22-13)8-11-21-18(23)20-10-7-15-5-2-4-14-6-3-9-19-17(14)15/h2-6,9,12H,7-8,10-11H2,1H3,(H2,20,21,23)
InChIKeyBZKJKPFARXFNLQ-UHFFFAOYSA-N
XLogP3.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-8-amine
CID 82538975
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
CID 86875692
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea (CID 47042479) is 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea is Cc1csc(CCNC(=O)NCCc2cccc3cccnc23)n1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea?
The InChIKey is BZKJKPFARXFNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-12-24-16(22-13)8-11-21-18(23)20-10-7-15-5-2-4-14-6-3-9-19-17(14)15/h2-6,9,12H,7-8,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea?
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea has a molecular weight of 340.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea is sourced from PubChem (CID 47042479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).