methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate

C13H15N3O2S — CID 114702175

IUPACmethyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCc2ccncc2C)sc1C
InChIInChI=1S/C13H15N3O2S/c1-8-6-14-5-4-10(8)7-15-13-16-11(9(2)19-13)12(17)18-3/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyOGJSLWNOHYXXOR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.55
Rot. Bonds4

About methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate (PubChem CID 114702175) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
PubChem CID114702175
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namemethyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCc2ccncc2C)sc1C
InChIInChI=1S/C13H15N3O2S/c1-8-6-14-5-4-10(8)7-15-13-16-11(9(2)19-13)12(17)18-3/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyOGJSLWNOHYXXOR-UHFFFAOYSA-N
XLogP2.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[(2-bromophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423972
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 114702177
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
methyl 2-[(4-fluorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306639
methyl 5-methyl-2-(thiophen-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115424395
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 114701205
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113307000
methyl 2-[2-(carbamoylamino)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83117228
methyl 5-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 130179602

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate (CID 114702175) is methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NCc2ccncc2C)sc1C.
What is the InChIKey of methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is OGJSLWNOHYXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-6-14-5-4-10(8)7-15-13-16-11(9(2)19-13)12(17)18-3/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 114702175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).