N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C12H13N3O2S — CID 58236291

IUPACN-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCN(OC)C(=O)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C12H13N3O2S/c1-3-15(17-2)12(16)10-8-14-11(18-10)9-5-4-6-13-7-9/h4-8H,3H2,1-2H3
InChIKeyNXSZMOLLDZCEJB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.23
Rot. Bonds4

About N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 58236291) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID58236291
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCN(OC)C(=O)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C12H13N3O2S/c1-3-15(17-2)12(16)10-8-14-11(18-10)9-5-4-6-13-7-9/h4-8H,3H2,1-2H3
InChIKeyNXSZMOLLDZCEJB-UHFFFAOYSA-N
XLogP2.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 58236291) is N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is CCN(OC)C(=O)c1cnc(-c2cccnc2)s1.
What is the InChIKey of N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NXSZMOLLDZCEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-15(17-2)12(16)10-8-14-11(18-10)9-5-4-6-13-7-9/h4-8H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).