ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate

C14H24N2O2S2 — CID 143885970

IUPACethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCSC2CN=C(C)S2)CC1
InChIInChI=1S/C14H24N2O2S2/c1-3-18-14(17)12-4-6-16(7-5-12)8-9-19-13-10-15-11(2)20-13/h12-13H,3-10H2,1-2H3
InChIKeySNUSTLSOVOWUHQ-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.49
Rot. Bonds6

About ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate

ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate (PubChem CID 143885970) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate
PubChem CID143885970
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Nameethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCSC2CN=C(C)S2)CC1
InChIInChI=1S/C14H24N2O2S2/c1-3-18-14(17)12-4-6-16(7-5-12)8-9-19-13-10-15-11(2)20-13/h12-13H,3-10H2,1-2H3
InChIKeySNUSTLSOVOWUHQ-UHFFFAOYSA-N
XLogP2.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Piperidinium, 1-(1,3-dithiol-2-ylidene)-4-(ethoxycarbonyl)-, perchlorate
CID 3064478
Ethyl 1-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxylate
CID 2418894
Ethyl 4-(4-(((4,5-dihydrothiazol-2-yl)thio)methyl)piperidin-1-yl)-4-oxobutanoate
CID 71800990
Ethyl 1-(1,3-dithiol-2-ylidene)piperidin-1-ium-4-carboxylate
CID 3064479
Ethyl 1-(2-ethylsulfanylethyl)piperidine-4-carboxylate
CID 115635445
Ethyl 1-(3-ethylsulfanylpropyl)piperidine-4-carboxylate
CID 115665406

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate (CID 143885970) is ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCSC2CN=C(C)S2)CC1.
What is the InChIKey of ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate?
The InChIKey is SNUSTLSOVOWUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-3-18-14(17)12-4-6-16(7-5-12)8-9-19-13-10-15-11(2)20-13/h12-13H,3-10H2,1-2H3.
What are the key properties of ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate has a molecular weight of 316.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 143885970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).