4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide

C9H9ClN4O2S — CID 49432724

IUPAC4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide
SMILESN#Cc1c(Cl)nsc1N1CCOC(C(N)=O)C1
InChIInChI=1S/C9H9ClN4O2S/c10-7-5(3-11)9(17-13-7)14-1-2-16-6(4-14)8(12)15/h6H,1-2,4H2,(H2,12,15)
InChIKeyLOGQEOGOXBMVOS-UHFFFAOYSA-N
MW272.72 g/mol
LogP0.36
Rot. Bonds2

About 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide

4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide (PubChem CID 49432724) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide
PubChem CID49432724
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide
SMILESN#Cc1c(Cl)nsc1N1CCOC(C(N)=O)C1
InChIInChI=1S/C9H9ClN4O2S/c10-7-5(3-11)9(17-13-7)14-1-2-16-6(4-14)8(12)15/h6H,1-2,4H2,(H2,12,15)
InChIKeyLOGQEOGOXBMVOS-UHFFFAOYSA-N
XLogP0.36
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide (CID 49432724) is 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide is N#Cc1c(Cl)nsc1N1CCOC(C(N)=O)C1.
What is the InChIKey of 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide?
The InChIKey is LOGQEOGOXBMVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c10-7-5(3-11)9(17-13-7)14-1-2-16-6(4-14)8(12)15/h6H,1-2,4H2,(H2,12,15).
What are the key properties of 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide?
4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide has a molecular weight of 272.72 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyano-1,2-thiazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 49432724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).