propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate

C15H19N3O2S — CID 75478038

IUPACpropan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate
SMILESCc1nc(CN(C)c2ncccc2C(=O)OC(C)C)cs1
InChIInChI=1S/C15H19N3O2S/c1-10(2)20-15(19)13-6-5-7-16-14(13)18(4)8-12-9-21-11(3)17-12/h5-7,9-10H,8H2,1-4H3
InChIKeyFBKJJSVEVQXZDV-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.05
Rot. Bonds5

About propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate

propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate (PubChem CID 75478038) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate
PubChem CID75478038
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Namepropan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate
SMILESCc1nc(CN(C)c2ncccc2C(=O)OC(C)C)cs1
InChIInChI=1S/C15H19N3O2S/c1-10(2)20-15(19)13-6-5-7-16-14(13)18(4)8-12-9-21-11(3)17-12/h5-7,9-10H,8H2,1-4H3
InChIKeyFBKJJSVEVQXZDV-UHFFFAOYSA-N
XLogP3.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate (CID 75478038) is propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate is Cc1nc(CN(C)c2ncccc2C(=O)OC(C)C)cs1.
What is the InChIKey of propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate?
The InChIKey is FBKJJSVEVQXZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)20-15(19)13-6-5-7-16-14(13)18(4)8-12-9-21-11(3)17-12/h5-7,9-10H,8H2,1-4H3.
What are the key properties of propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate?
propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 75478038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).