tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate

C23H29N5O2S — CID 21354786

IUPACtert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1
InChIInChI=1S/C23H29N5O2S/c1-23(2,3)30-22(29)24-15-17-14-18(27-26-17)19-20(28-12-8-5-9-13-28)25-21(31-19)16-10-6-4-7-11-16/h4,6-7,10-11,14H,5,8-9,12-13,15H2,1-3H3,(H,24,29)(H,26,27)
InChIKeyCPCFZWWQEUCBHG-UHFFFAOYSA-N
MW439.59 g/mol
LogP5.22
Rot. Bonds5

About tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate

tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate (PubChem CID 21354786) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
PubChem CID21354786
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC Nametert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1
InChIInChI=1S/C23H29N5O2S/c1-23(2,3)30-22(29)24-15-17-14-18(27-26-17)19-20(28-12-8-5-9-13-28)25-21(31-19)16-10-6-4-7-11-16/h4,6-7,10-11,14H,5,8-9,12-13,15H2,1-3H3,(H,24,29)(H,26,27)
InChIKeyCPCFZWWQEUCBHG-UHFFFAOYSA-N
XLogP5.22
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.59
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate with MolForge

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Related Compounds

Prop-2-Yn-1-Yl {[5-(4-Piperidin-1-Yl-2-Pyridin-3-Yl-1,3-Thiazol-5-Yl)-1h-Pyrazol-3-Yl]methyl}carbamate
CID 10180587
Methyl ({5-[4-(4-Hydroxypiperidin-1-Yl)-2-Phenyl-1,3-Thiazol-5-Yl]-1h-Pyrazol-3-Yl}methyl)carbamate
CID 44608008
but-2-ynyl N-[[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
CID 10137928
methyl N-[[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
CID 10157715
1-(4-fluorobenzyl)-3-(4-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiazol-2-yl)imidazolidin-2-one
CID 57919751
1-[[3-(fluoromethyl)phenyl]methyl]-3-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 68205677
5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 69012100
tert-butyl 4-[(3Z)-4-[5-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(2-fluoroethyl)amino]-1-ethylpyrazol-3-yl]penta-1,3-dien-2-yl]piperazine-1-carboxylate
CID 155419595
2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide
CID 10224931
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide
CID 138996978
N-(1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl)-2-phenylthiazole-4-carboxamide
CID 91631983
methyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
CID 9843760

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate (CID 21354786) is tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1.
What is the InChIKey of tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The InChIKey is CPCFZWWQEUCBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-23(2,3)30-22(29)24-15-17-14-18(27-26-17)19-20(28-12-8-5-9-13-28)25-21(31-19)16-10-6-4-7-11-16/h4,6-7,10-11,14H,5,8-9,12-13,15H2,1-3H3,(H,24,29)(H,26,27).
What are the key properties of tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate has a molecular weight of 439.59 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 21354786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).