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

C24H31N5O2S — CID 142076985

IUPAC2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
SMILESCCC(C)(C)OC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1
InChIInChI=1S/C24H31N5O2S/c1-4-24(2,3)31-23(30)25-16-18-15-19(28-27-18)20-21(29-13-9-6-10-14-29)26-22(32-20)17-11-7-5-8-12-17/h5,7-8,11-12,15H,4,6,9-10,13-14,16H2,1-3H3,(H,25,30)(H,27,28)
InChIKeyXNZZZSRIFXSUQN-UHFFFAOYSA-N
MW453.61 g/mol
LogP5.61
Rot. Bonds7

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

2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate (PubChem CID 142076985) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
PubChem CID142076985
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
SMILESCCC(C)(C)OC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1
InChIInChI=1S/C24H31N5O2S/c1-4-24(2,3)31-23(30)25-16-18-15-19(28-27-18)20-21(29-13-9-6-10-14-29)26-22(32-20)17-11-7-5-8-12-17/h5,7-8,11-12,15H,4,6,9-10,13-14,16H2,1-3H3,(H,25,30)(H,27,28)
InChIKeyXNZZZSRIFXSUQN-UHFFFAOYSA-N
XLogP5.61
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.61
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate (CID 142076985) is 2-methylbutan-2-yl 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 2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate is CCC(C)(C)OC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1.
What is the InChIKey of 2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
The InChIKey is XNZZZSRIFXSUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-4-24(2,3)31-23(30)25-16-18-15-19(28-27-18)20-21(29-13-9-6-10-14-29)26-22(32-20)17-11-7-5-8-12-17/h5,7-8,11-12,15H,4,6,9-10,13-14,16H2,1-3H3,(H,25,30)(H,27,28).
What are the key properties of 2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate?
2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate has a molecular weight of 453.61 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 142076985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).