methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate

C11H11N3O2S — CID 80572026

IUPACmethyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCc2cccnc2)s1
InChIInChI=1S/C11H11N3O2S/c1-16-10(15)9-7-14-11(17-9)13-6-8-3-2-4-12-5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyOGSPRZZYTSWDPB-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.94
Rot. Bonds4

About methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate

methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate (PubChem CID 80572026) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
PubChem CID80572026
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCc2cccnc2)s1
InChIInChI=1S/C11H11N3O2S/c1-16-10(15)9-7-14-11(17-9)13-6-8-3-2-4-12-5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyOGSPRZZYTSWDPB-UHFFFAOYSA-N
XLogP1.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-pyridin-3-ylphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 86665086
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966
3-[2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carbonyl]benzoic acid
CID 142615598
5-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 104599802
methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 81435793
[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 151619613
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
methyl 5-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 54467787
methyl 2-[4-(dimethylamino)butylamino]-1,3-thiazole-5-carboxylate
CID 80571028
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80572858
methyl 2-(octylamino)-1,3-thiazole-5-carboxylate
CID 113336783
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
CID 80571719

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate (CID 80572026) is methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NCc2cccnc2)s1.
What is the InChIKey of methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is OGSPRZZYTSWDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-10(15)9-7-14-11(17-9)13-6-8-3-2-4-12-5-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).