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

C11H11N3O2S2 — CID 59200463

IUPACmethyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate
SMILESCNc1ncc(Sc2ccnc(C(=O)OC)c2)s1
InChIInChI=1S/C11H11N3O2S2/c1-12-11-14-6-9(18-11)17-7-3-4-13-8(5-7)10(15)16-2/h3-6H,1-2H3,(H,12,14)
InChIKeyBLPZOLOADASVCR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.52
Rot. Bonds4

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

methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate (PubChem CID 59200463) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate
PubChem CID59200463
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Namemethyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate
SMILESCNc1ncc(Sc2ccnc(C(=O)OC)c2)s1
InChIInChI=1S/C11H11N3O2S2/c1-12-11-14-6-9(18-11)17-7-3-4-13-8(5-7)10(15)16-2/h3-6H,1-2H3,(H,12,14)
InChIKeyBLPZOLOADASVCR-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]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

N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide
CID 54507195
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 4-[[2-[(5-amino-2-pyridinyl)amino]-1,3-thiazol-4-yl]sulfanyl]pyridine-2-carboxylate
CID 59200371
N-(5-phenylsulfanyl-1,3-thiazol-2-yl)acetamide
CID 15786742
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 4-dimethylphosphorylpyridine-2-carboxylate
CID 155970992
N-[5-(4-methylphenyl)sulfanyl-1,3-thiazol-2-yl]acetamide
CID 134938465
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 4-(sulfinylamino)pyridine-2-carboxylate
CID 129321367
acetylene;N-[2-(3-chloro-4-methoxyphenyl)ethyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 143711783
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate (CID 59200463) is methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate is CNc1ncc(Sc2ccnc(C(=O)OC)c2)s1.
What is the InChIKey of methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate?
The InChIKey is BLPZOLOADASVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-12-11-14-6-9(18-11)17-7-3-4-13-8(5-7)10(15)16-2/h3-6H,1-2H3,(H,12,14).
What are the key properties of methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate?
methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(methylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylate is sourced from PubChem (CID 59200463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).