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

C17H28N4O3S — CID 71892966

IUPACtert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate
SMILESCc1csc(CCNC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O3S/c1-12-11-25-14(19-12)5-8-18-15(22)21-9-6-13(7-10-21)20-16(23)24-17(2,3)4/h11,13H,5-10H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyPFDRZIRUINZDJD-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.69
Rot. Bonds4

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

tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate (PubChem CID 71892966) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate
PubChem CID71892966
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Nametert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate
SMILESCc1csc(CCNC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O3S/c1-12-11-25-14(19-12)5-8-18-15(22)21-9-6-13(7-10-21)20-16(23)24-17(2,3)4/h11,13H,5-10H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyPFDRZIRUINZDJD-UHFFFAOYSA-N
XLogP2.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]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

1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 45810788
Methyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]piperidine-1-carboxylate
CID 53552205
Tert-butyl 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 53604515
Tert-butyl 3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 53606147
Methyl 3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]piperidine-1-carboxylate
CID 53610883
Tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
CID 56827319
tert-butyl (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
CID 75434857
4-{4-[2-(2-Methylpropanamido)ethyl]-1,3-thiazol-2-YL}-N-(propan-2-YL)piperidine-1-carboxamide
CID 71841858
N-(Propan-2-YL)-4-[4-(2-propanamidoethyl)-1,3-thiazol-2-YL]piperidine-1-carboxamide
CID 71841861
N-(Butan-2-YL)-4-[4-(2-acetamidoethyl)-1,3-thiazol-2-YL]piperidine-1-carboxamide
CID 71841870
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 47048724
1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperidin-3-yl)urea
CID 72138961

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate (CID 71892966) is tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate is Cc1csc(CCNC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate?
The InChIKey is PFDRZIRUINZDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-12-11-25-14(19-12)5-8-18-15(22)21-9-6-13(7-10-21)20-16(23)24-17(2,3)4/h11,13H,5-10H2,1-4H3,(H,18,22)(H,20,23).
What are the key properties of tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate has a molecular weight of 368.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 71892966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).