N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide

C16H10ClN3O2S2 — CID 8780817

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C16H10ClN3O2S2/c17-14-6-5-13(24-14)12-9-23-16(19-12)20-15(21)8-22-11-3-1-10(7-18)2-4-11/h1-6,9H,8H2,(H,19,20,21)
InChIKeyMSFLCVOKFPSMLR-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.41
Rot. Bonds5

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide (PubChem CID 8780817) has the molecular formula C16H10ClN3O2S2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
PubChem CID8780817
Molecular FormulaC16H10ClN3O2S2
Molecular Weight375.86 g/mol
Exact Mass374.99
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C16H10ClN3O2S2/c17-14-6-5-13(24-14)12-9-23-16(19-12)20-15(21)8-22-11-3-1-10(7-18)2-4-11/h1-6,9H,8H2,(H,19,20,21)
InChIKeyMSFLCVOKFPSMLR-UHFFFAOYSA-N
XLogP4.41
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 2428133
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-cyanophenoxy)acetamide
CID 35721988
2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2473057
2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4799321
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
2-[2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2158860
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-cyano-6-methylpyridine-2-carboxamide
CID 39090732
methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 9141010
4-[5-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid
CID 35271938
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide (CID 8780817) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide?
The InChIKey is MSFLCVOKFPSMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2S2/c17-14-6-5-13(24-14)12-9-23-16(19-12)20-15(21)8-22-11-3-1-10(7-18)2-4-11/h1-6,9H,8H2,(H,19,20,21).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide has a molecular weight of 375.86 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 8780817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).