methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride

C17H23ClN4O2S — CID 155777080

IUPACmethyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCNC(C)C1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-12-10-17(6-7-18-12,15(22)23-2)11-13-4-3-5-14(20-13)21-16-19-8-9-24-16;/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,19,20,21);1H
InChIKeyFWRWVXCCDNESIY-UHFFFAOYSA-N
MW382.92 g/mol
LogP3.18
Rot. Bonds5

About methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride

methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 155777080) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride
PubChem CID155777080
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC Namemethyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCNC(C)C1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-12-10-17(6-7-18-12,15(22)23-2)11-13-4-3-5-14(20-13)21-16-19-8-9-24-16;/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,19,20,21);1H
InChIKeyFWRWVXCCDNESIY-UHFFFAOYSA-N
XLogP3.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride (CID 155777080) is methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride is COC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCNC(C)C1.Cl.
What is the InChIKey of methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is FWRWVXCCDNESIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.ClH/c1-12-10-17(6-7-18-12,15(22)23-2)11-13-4-3-5-14(20-13)21-16-19-8-9-24-16;/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H,19,20,21);1H.
What are the key properties of methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride?
methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 382.92 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 155777080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).