2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide

C14H11ClN4OS — CID 62798549

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide
SMILESNc1nc(CC(=O)Nc2ccc(Cl)c3cccnc23)cs1
InChIInChI=1S/C14H11ClN4OS/c15-10-3-4-11(13-9(10)2-1-5-17-13)19-12(20)6-8-7-21-14(16)18-8/h1-5,7H,6H2,(H2,16,18)(H,19,20)
InChIKeyKJFYQGHFJPXLMR-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.11
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide (PubChem CID 62798549) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide
PubChem CID62798549
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide
SMILESNc1nc(CC(=O)Nc2ccc(Cl)c3cccnc23)cs1
InChIInChI=1S/C14H11ClN4OS/c15-10-3-4-11(13-9(10)2-1-5-17-13)19-12(20)6-8-7-21-14(16)18-8/h1-5,7H,6H2,(H2,16,18)(H,19,20)
InChIKeyKJFYQGHFJPXLMR-UHFFFAOYSA-N
XLogP3.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 62799070
2-(2-amino-1,3-thiazol-4-yl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 62798885
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
2-(2-amino-1,3-thiazol-4-yl)-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727137
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 62795895
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide (CID 62798549) is 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide is Nc1nc(CC(=O)Nc2ccc(Cl)c3cccnc23)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide?
The InChIKey is KJFYQGHFJPXLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-10-3-4-11(13-9(10)2-1-5-17-13)19-12(20)6-8-7-21-14(16)18-8/h1-5,7H,6H2,(H2,16,18)(H,19,20).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide has a molecular weight of 318.79 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(5-chloroquinolin-8-yl)acetamide is sourced from PubChem (CID 62798549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).