4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide

C18H12ClN3O2S2 — CID 59014047

IUPAC4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2scnc2Cl)cc1
InChIInChI=1S/C18H12ClN3O2S2/c1-10-6-14(13-7-20-8-24-13)26-15(10)11-2-4-12(5-3-11)22-18(23)16-17(19)21-9-25-16/h2-9H,1H3,(H,22,23)
InChIKeyRHORFJIRYBWPJA-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.74
Rot. Bonds4

About 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide

4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 59014047) has the molecular formula C18H12ClN3O2S2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID59014047
Molecular FormulaC18H12ClN3O2S2
Molecular Weight401.90 g/mol
Exact Mass401.01
IUPAC Name4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2scnc2Cl)cc1
InChIInChI=1S/C18H12ClN3O2S2/c1-10-6-14(13-7-20-8-24-13)26-15(10)11-2-4-12(5-3-11)22-18(23)16-17(19)21-9-25-16/h2-9H,1H3,(H,22,23)
InChIKeyRHORFJIRYBWPJA-UHFFFAOYSA-N
XLogP5.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide (CID 59014047) is 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide is Cc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2scnc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RHORFJIRYBWPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S2/c1-10-6-14(13-7-20-8-24-13)26-15(10)11-2-4-12(5-3-11)22-18(23)16-17(19)21-9-25-16/h2-9H,1H3,(H,22,23).
What are the key properties of 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59014047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).