methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate

C12H13N3O2S — CID 66285848

IUPACmethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCc2cnc(C)s2)ccn1
InChIInChI=1S/C12H13N3O2S/c1-8-14-6-10(18-8)7-15-9-3-4-13-11(5-9)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyZBMSARRMQRZSES-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.25
Rot. Bonds4

About methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate

methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate (PubChem CID 66285848) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
PubChem CID66285848
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Namemethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCc2cnc(C)s2)ccn1
InChIInChI=1S/C12H13N3O2S/c1-8-14-6-10(18-8)7-15-9-3-4-13-11(5-9)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyZBMSARRMQRZSES-UHFFFAOYSA-N
XLogP2.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 103702630
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate
CID 79492915
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
methyl 4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 54868582
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 60941068
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-(3-methylsulfinylpropylamino)pyridine-2-carboxylate
CID 115657520

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate (CID 66285848) is methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate is COC(=O)c1cc(NCc2cnc(C)s2)ccn1.
What is the InChIKey of methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate?
The InChIKey is ZBMSARRMQRZSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-14-6-10(18-8)7-15-9-3-4-13-11(5-9)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15).
What are the key properties of methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate?
methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66285848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).