tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C24H37N3O4S — CID 167905968

IUPACtert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1=C(c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)CN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H37N3O4S/c1-16-8-11-27(22(29)31-24(5,6)7)14-18(16)20-25-19(15-32-20)17-9-12-26(13-10-17)21(28)30-23(2,3)4/h15,17H,8-14H2,1-7H3
InChIKeyTYJLDHNVSACIKK-UHFFFAOYSA-N
MW463.64 g/mol
LogP5.67
Rot. Bonds2

About tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 167905968) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID167905968
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC Nametert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1=C(c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)CN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H37N3O4S/c1-16-8-11-27(22(29)31-24(5,6)7)14-18(16)20-25-19(15-32-20)17-9-12-26(13-10-17)21(28)30-23(2,3)4/h15,17H,8-14H2,1-7H3
InChIKeyTYJLDHNVSACIKK-UHFFFAOYSA-N
XLogP5.67
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.64
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 4-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 167817491
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CID 129139631
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
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tert-butyl 3-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
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tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 167905968) is tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC1=C(c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)CN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is TYJLDHNVSACIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S/c1-16-8-11-27(22(29)31-24(5,6)7)14-18(16)20-25-19(15-32-20)17-9-12-26(13-10-17)21(28)30-23(2,3)4/h15,17H,8-14H2,1-7H3.
What are the key properties of tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 463.64 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 167905968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).