N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H11ClFN3O2S2 — CID 30272406

IUPACN-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H11ClFN3O2S2/c17-9-3-4-12(11(18)6-9)20-14(22)7-10-8-25-16(19-10)21-15(23)13-2-1-5-24-13/h1-6,8H,7H2,(H,20,22)(H,19,21,23)
InChIKeyPTHYOMOPNBKSLK-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.43
Rot. Bonds5

About N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 30272406) has the molecular formula C16H11ClFN3O2S2 and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID30272406
Molecular FormulaC16H11ClFN3O2S2
Molecular Weight395.87 g/mol
Exact Mass395.00
IUPAC NameN-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H11ClFN3O2S2/c17-9-3-4-12(11(18)6-9)20-14(22)7-10-8-25-16(19-10)21-15(23)13-2-1-5-24-13/h1-6,8H,7H2,(H,20,22)(H,19,21,23)
InChIKeyPTHYOMOPNBKSLK-UHFFFAOYSA-N
XLogP4.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42885056
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 29369939
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
N-[4-[2-(2-anilinoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112771279
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229313
N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55514368
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 30272406) is N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is PTHYOMOPNBKSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S2/c17-9-3-4-12(11(18)6-9)20-14(22)7-10-8-25-16(19-10)21-15(23)13-2-1-5-24-13/h1-6,8H,7H2,(H,20,22)(H,19,21,23).
What are the key properties of N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30272406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).