(4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C19H12ClNO2S2 — CID 8897974

IUPAC(4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccs2)n1)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H12ClNO2S2/c20-15-7-8-16(14-5-2-1-4-13(14)15)23-18(22)10-12-11-25-19(21-12)17-6-3-9-24-17/h1-9,11H,10H2
InChIKeyBYRRMOLYCJTRMM-UHFFFAOYSA-N
MW385.90 g/mol
LogP5.83
Rot. Bonds4

About (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

(4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8897974) has the molecular formula C19H12ClNO2S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID8897974
Molecular FormulaC19H12ClNO2S2
Molecular Weight385.90 g/mol
Exact Mass385.00
IUPAC Name(4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccs2)n1)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H12ClNO2S2/c20-15-7-8-16(14-5-2-1-4-13(14)15)23-18(22)10-12-11-25-19(21-12)17-6-3-9-24-17/h1-9,11H,10H2
InChIKeyBYRRMOLYCJTRMM-UHFFFAOYSA-N
XLogP5.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,3,6-trimethylphenyl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 16562698
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505093
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 43021631
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 41469825
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46625602
(2,5-dimethoxyphenyl)methyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 39966951
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8602963
methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 38237310
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 42058383
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 42922610

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 8897974) is (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccs2)n1)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is BYRRMOLYCJTRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2S2/c20-15-7-8-16(14-5-2-1-4-13(14)15)23-18(22)10-12-11-25-19(21-12)17-6-3-9-24-17/h1-9,11H,10H2.
What are the key properties of (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
(4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 385.90 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8897974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).