methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate

C15H17N3O2S — CID 154752871

IUPACmethyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(N3CCCC3)nc2)nc1C
InChIInChI=1S/C15H17N3O2S/c1-10-13(15(19)20-2)21-14(17-10)11-5-6-12(16-9-11)18-7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyLXMXZMLCGLKMJN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.90
Rot. Bonds3

About methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate (PubChem CID 154752871) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
PubChem CID154752871
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Namemethyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(N3CCCC3)nc2)nc1C
InChIInChI=1S/C15H17N3O2S/c1-10-13(15(19)20-2)21-14(17-10)11-5-6-12(16-9-11)18-7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyLXMXZMLCGLKMJN-UHFFFAOYSA-N
XLogP2.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
CID 155143358
2-(4-fluorophenyl)-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 30267798
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate
CID 115327986
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
methyl 4-[[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 53145732
N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145632
methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate
CID 167778234
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
2-amino-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 62794614
4-[5-(6-piperidin-1-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]benzoic acid;hydrochloride
CID 70055756
methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 107124592

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate (CID 154752871) is methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccc(N3CCCC3)nc2)nc1C.
What is the InChIKey of methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate?
The InChIKey is LXMXZMLCGLKMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-13(15(19)20-2)21-14(17-10)11-5-6-12(16-9-11)18-7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 154752871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).