[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate

C14H15N3O3S — CID 10892092

IUPAC[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C14H15N3O3S/c1-14(2,3)12(19)20-9-5-4-6-15-10(9)11(18)17-13-16-7-8-21-13/h4-8H,1-3H3,(H,16,17,18)
InChIKeyPXPFFSRMMODNKS-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.74
Rot. Bonds3

About [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate

[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate (PubChem CID 10892092) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate
PubChem CID10892092
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C14H15N3O3S/c1-14(2,3)12(19)20-9-5-4-6-15-10(9)11(18)17-13-16-7-8-21-13/h4-8H,1-3H3,(H,16,17,18)
InChIKeyPXPFFSRMMODNKS-UHFFFAOYSA-N
XLogP2.74
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate (CID 10892092) is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate?
The InChIKey is PXPFFSRMMODNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-14(2,3)12(19)20-9-5-4-6-15-10(9)11(18)17-13-16-7-8-21-13/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate?
[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate has a molecular weight of 305.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10892092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).