N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C9H12IN3O2S — CID 170237223

IUPACN-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NI
InChIInChI=1S/C9H12IN3O2S/c1-6-7(8(14)12-10)16-9(11-6)13-2-4-15-5-3-13/h2-5H2,1H3,(H,12,14)
InChIKeyQXGDGVAAQUCYNV-UHFFFAOYSA-N
MW353.19 g/mol
LogP1.37
Rot. Bonds2

About N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 170237223) has the molecular formula C9H12IN3O2S and a molecular weight of 353.19 g/mol. Its IUPAC name is N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID170237223
Molecular FormulaC9H12IN3O2S
Molecular Weight353.19 g/mol
Exact Mass352.97
IUPAC NameN-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NI
InChIInChI=1S/C9H12IN3O2S/c1-6-7(8(14)12-10)16-9(11-6)13-2-4-15-5-3-13/h2-5H2,1H3,(H,12,14)
InChIKeyQXGDGVAAQUCYNV-UHFFFAOYSA-N
XLogP1.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 170237223) is N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCOCC2)sc1C(=O)NI.
What is the InChIKey of N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QXGDGVAAQUCYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2S/c1-6-7(8(14)12-10)16-9(11-6)13-2-4-15-5-3-13/h2-5H2,1H3,(H,12,14).
What are the key properties of N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 353.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 170237223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).