N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1)

C9H13Cl2N3O2S — CID 215125

IUPACN-(5-chloro-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESC1COCCN1CC(=O)NC2=NC=C(S2)Cl.Cl
InChIInChI=1S/C9H12ClN3O2S.ClH/c10-7-5-11-9(16-7)12-8(14)6-13-1-3-15-4-2-13;/h5H,1-4,6H2,(H,11,12,14);1H
InChIKeyKTXZSNINVGGGFY-UHFFFAOYSA-N
MW298.19 g/mol
LogP—
Rot. Bonds3

About N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1)

N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1) (PubChem CID 215125) has the molecular formula C9H13Cl2N3O2S and a molecular weight of 298.19 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1)
PubChem CID215125
Molecular FormulaC9H13Cl2N3O2S
Molecular Weight298.19 g/mol
Exact Mass297.01
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESC1COCCN1CC(=O)NC2=NC=C(S2)Cl.Cl
InChIInChI=1S/C9H12ClN3O2S.ClH/c10-7-5-11-9(16-7)12-8(14)6-13-1-3-15-4-2-13;/h5H,1-4,6H2,(H,11,12,14);1H
InChIKeyKTXZSNINVGGGFY-UHFFFAOYSA-N
XLogP—
TPSA82.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity251

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1)?
The IUPAC name of N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1) (CID 215125) is N-(5-chloro-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1)?
The canonical SMILES for N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1) is C1COCCN1CC(=O)NC2=NC=C(S2)Cl.Cl.
What is the InChIKey of N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1)?
The InChIKey is KTXZSNINVGGGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S.ClH/c10-7-5-11-9(16-7)12-8(14)6-13-1-3-15-4-2-13;/h5H,1-4,6H2,(H,11,12,14);1H.
What are the key properties of N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1)?
N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1) has a molecular weight of 298.19 g/mol, XLogP of not available, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1) is sourced from PubChem (CID 215125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).