2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide

C17H19Cl2N5O4S — CID 57048053

IUPAC2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide
SMILESNCC1CN(C(=O)Nc2snc(OCc3cccc(Cl)c3Cl)c2C(N)=O)CCO1
InChIInChI=1S/C17H19Cl2N5O4S/c18-11-3-1-2-9(13(11)19)8-28-15-12(14(21)25)16(29-23-15)22-17(26)24-4-5-27-10(6-20)7-24/h1-3,10H,4-8,20H2,(H2,21,25)(H,22,26)
InChIKeyKFJISSCDYXPLEF-UHFFFAOYSA-N
MW460.34 g/mol
LogP2.32
Rot. Bonds6

About 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide

2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide (PubChem CID 57048053) has the molecular formula C17H19Cl2N5O4S and a molecular weight of 460.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide
PubChem CID57048053
Molecular FormulaC17H19Cl2N5O4S
Molecular Weight460.34 g/mol
Exact Mass459.05
IUPAC Name2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide
SMILESNCC1CN(C(=O)Nc2snc(OCc3cccc(Cl)c3Cl)c2C(N)=O)CCO1
InChIInChI=1S/C17H19Cl2N5O4S/c18-11-3-1-2-9(13(11)19)8-28-15-12(14(21)25)16(29-23-15)22-17(26)24-4-5-27-10(6-20)7-24/h1-3,10H,4-8,20H2,(H2,21,25)(H,22,26)
InChIKeyKFJISSCDYXPLEF-UHFFFAOYSA-N
XLogP2.32
TPSA132.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide (CID 57048053) is 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide is NCC1CN(C(=O)Nc2snc(OCc3cccc(Cl)c3Cl)c2C(N)=O)CCO1.
What is the InChIKey of 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide?
The InChIKey is KFJISSCDYXPLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O4S/c18-11-3-1-2-9(13(11)19)8-28-15-12(14(21)25)16(29-23-15)22-17(26)24-4-5-27-10(6-20)7-24/h1-3,10H,4-8,20H2,(H2,21,25)(H,22,26).
What are the key properties of 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide?
2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide has a molecular weight of 460.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-carbamoyl-3-[(2,3-dichlorophenyl)methoxy]-1,2-thiazol-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 57048053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).