tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate

C16H22ClN5O2S — CID 167815193

IUPACtert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate
SMILESCn1nc(Cl)c(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)n1
InChIInChI=1S/C16H22ClN5O2S/c1-16(2,3)24-15(23)22-7-5-10(6-8-22)11-9-25-14(18-11)12-13(17)20-21(4)19-12/h9-10H,5-8H2,1-4H3
InChIKeyGVONMTXOIYAAMH-UHFFFAOYSA-N
MW383.91 g/mol
LogP3.71
Rot. Bonds2

About tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate (PubChem CID 167815193) has the molecular formula C16H22ClN5O2S and a molecular weight of 383.91 g/mol. Its IUPAC name is tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate
PubChem CID167815193
Molecular FormulaC16H22ClN5O2S
Molecular Weight383.91 g/mol
Exact Mass383.12
IUPAC Nametert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate
SMILESCn1nc(Cl)c(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)n1
InChIInChI=1S/C16H22ClN5O2S/c1-16(2,3)24-15(23)22-7-5-10(6-8-22)11-9-25-14(18-11)12-13(17)20-21(4)19-12/h9-10H,5-8H2,1-4H3
InChIKeyGVONMTXOIYAAMH-UHFFFAOYSA-N
XLogP3.71
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.91
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 167762752
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
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
tert-butyl 4-(3-amino-5,6-dichloro-2-pyridinyl)piperidine-1-carboxylate
CID 87421836
tert-butyl 4-[3-(4-cyclohexyl-1,3-thiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025957
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 4-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58851926
tert-butyl 3-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 130131991

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate (CID 167815193) is tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate is Cn1nc(Cl)c(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)n1.
What is the InChIKey of tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate?
The InChIKey is GVONMTXOIYAAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2S/c1-16(2,3)24-15(23)22-7-5-10(6-8-22)11-9-25-14(18-11)12-13(17)20-21(4)19-12/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate has a molecular weight of 383.91 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 167815193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).