3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H21ClN4O3S2 — CID 55870824

IUPAC3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)CC(C)O1
InChIInChI=1S/C18H21ClN4O3S2/c1-10-6-23(7-11(2)25-10)8-12-9-27-18(20-12)21-17(24)14-5-13(22-26-14)15-3-4-16(19)28-15/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,21,24)
InChIKeyIPSNDFAKGQBISQ-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.60
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55870824) has the molecular formula C18H21ClN4O3S2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55870824
Molecular FormulaC18H21ClN4O3S2
Molecular Weight440.98 g/mol
Exact Mass440.07
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)CC(C)O1
InChIInChI=1S/C18H21ClN4O3S2/c1-10-6-23(7-11(2)25-10)8-12-9-27-18(20-12)21-17(24)14-5-13(22-26-14)15-3-4-16(19)28-15/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,21,24)
InChIKeyIPSNDFAKGQBISQ-UHFFFAOYSA-N
XLogP3.60
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55870824) is 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1CN(Cc2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)CC(C)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IPSNDFAKGQBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3S2/c1-10-6-23(7-11(2)25-10)8-12-9-27-18(20-12)21-17(24)14-5-13(22-26-14)15-3-4-16(19)28-15/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,21,24).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55870824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).