benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate

C17H21N3O2S — CID 146452432

IUPACbenzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate
SMILESO=C(NCc1nc(C2CCNCC2)cs1)OCc1ccccc1
InChIInChI=1S/C17H21N3O2S/c21-17(22-11-13-4-2-1-3-5-13)19-10-16-20-15(12-23-16)14-6-8-18-9-7-14/h1-5,12,14,18H,6-11H2,(H,19,21)
InChIKeyTYOWWCHCRGSBFO-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.04
Rot. Bonds5

About benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate

benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate (PubChem CID 146452432) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate
PubChem CID146452432
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Namebenzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate
SMILESO=C(NCc1nc(C2CCNCC2)cs1)OCc1ccccc1
InChIInChI=1S/C17H21N3O2S/c21-17(22-11-13-4-2-1-3-5-13)19-10-16-20-15(12-23-16)14-6-8-18-9-7-14/h1-5,12,14,18H,6-11H2,(H,19,21)
InChIKeyTYOWWCHCRGSBFO-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-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

Related Compounds

benzyl N-methylcarbamate;benzyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 160848771
benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate
CID 165413642
benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate
CID 163278804
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
2-(methoxymethyl)-4-piperidin-4-yl-1,3-thiazole
CID 82276880
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
CID 167312043
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
benzyl N-[(2-oxopyrrolidin-3-yl)amino]carbamate
CID 174500033
benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
CID 142520241

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate (CID 146452432) is benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate is O=C(NCc1nc(C2CCNCC2)cs1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate?
The InChIKey is TYOWWCHCRGSBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-17(22-11-13-4-2-1-3-5-13)19-10-16-20-15(12-23-16)14-6-8-18-9-7-14/h1-5,12,14,18H,6-11H2,(H,19,21).
What are the key properties of benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate?
benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate has a molecular weight of 331.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-piperidin-4-yl-1,3-thiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 146452432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).