N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H15ClN4O3S3 — CID 55875000

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)s1
InChIInChI=1S/C18H15ClN4O3S3/c1-9(24)20-7-10-2-3-15(28-10)12-8-27-18(21-12)22-17(25)13-6-11(23-26-13)14-4-5-16(19)29-14/h2-5,8,13H,6-7H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyFWPFKOGTKAABJF-UHFFFAOYSA-N
MW467.00 g/mol
LogP4.35
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55875000) has the molecular formula C18H15ClN4O3S3 and a molecular weight of 467.00 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55875000
Molecular FormulaC18H15ClN4O3S3
Molecular Weight467.00 g/mol
Exact Mass466.00
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)s1
InChIInChI=1S/C18H15ClN4O3S3/c1-9(24)20-7-10-2-3-15(28-10)12-8-27-18(21-12)22-17(25)13-6-11(23-26-13)14-4-5-16(19)29-14/h2-5,8,13H,6-7H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyFWPFKOGTKAABJF-UHFFFAOYSA-N
XLogP4.35
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.00
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55875000) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FWPFKOGTKAABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3S3/c1-9(24)20-7-10-2-3-15(28-10)12-8-27-18(21-12)22-17(25)13-6-11(23-26-13)14-4-5-16(19)29-14/h2-5,8,13H,6-7H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 467.00 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55875000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).