methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

C13H15N3O2S — CID 58504091

IUPACmethyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccccn2)nc1CN(C)C
InChIInChI=1S/C13H15N3O2S/c1-16(2)8-10-11(13(17)18-3)19-12(15-10)9-6-4-5-7-14-9/h4-7H,8H2,1-3H3
InChIKeyUBFACLFNZSSBKY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.05
Rot. Bonds4

About methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 58504091) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID58504091
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namemethyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccccn2)nc1CN(C)C
InChIInChI=1S/C13H15N3O2S/c1-16(2)8-10-11(13(17)18-3)19-12(15-10)9-6-4-5-7-14-9/h4-7H,8H2,1-3H3
InChIKeyUBFACLFNZSSBKY-UHFFFAOYSA-N
XLogP2.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137814
1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 136993019
[2-(N-methylanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137078
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065
4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
CID 82440280
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 82428678
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 17488798

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (CID 58504091) is methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccccn2)nc1CN(C)C.
What is the InChIKey of methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is UBFACLFNZSSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(2)8-10-11(13(17)18-3)19-12(15-10)9-6-4-5-7-14-9/h4-7H,8H2,1-3H3.
What are the key properties of methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58504091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).