methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate

C13H15N3O2S — CID 113307307

IUPACmethyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)Cc2cccc(C)n2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-5-4-6-10(14-9)7-16(2)13-15-11(8-19-13)12(17)18-3/h4-6,8H,7H2,1-3H3
InChIKeyNKOWVDIXFCFBLY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 113307307) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID113307307
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namemethyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)Cc2cccc(C)n2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-5-4-6-10(14-9)7-16(2)13-15-11(8-19-13)12(17)18-3/h4-6,8H,7H2,1-3H3
InChIKeyNKOWVDIXFCFBLY-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423885
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 83155755
methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307008
methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423463
methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 70845802
methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 105420744
methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
CID 115424126
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate
CID 113306874

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate (CID 113307307) is methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)Cc2cccc(C)n2)n1.
What is the InChIKey of methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is NKOWVDIXFCFBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-5-4-6-10(14-9)7-16(2)13-15-11(8-19-13)12(17)18-3/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).