4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C14H20BrN3O4S — CID 174512585

IUPAC4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc(Br)c(C(=O)O)s2)CC1
InChIInChI=1S/C14H20BrN3O4S/c1-14(2,3)22-13(21)16-8-4-6-18(7-5-8)12-17-10(15)9(23-12)11(19)20/h8H,4-7H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyMUXFKMHOKDOGPT-UHFFFAOYSA-N
MW406.30 g/mol
LogP3.10
Rot. Bonds3

About 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 174512585) has the molecular formula C14H20BrN3O4S and a molecular weight of 406.30 g/mol. Its IUPAC name is 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID174512585
Molecular FormulaC14H20BrN3O4S
Molecular Weight406.30 g/mol
Exact Mass405.04
IUPAC Name4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc(Br)c(C(=O)O)s2)CC1
InChIInChI=1S/C14H20BrN3O4S/c1-14(2,3)22-13(21)16-8-4-6-18(7-5-8)12-17-10(15)9(23-12)11(19)20/h8H,4-7H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyMUXFKMHOKDOGPT-UHFFFAOYSA-N
XLogP3.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid 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

tert-butyl N-[(3R)-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]carbamate
CID 133383826
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133320499
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[(3R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]carbamate
CID 133380896
tert-butyl N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133380890
tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55972015
tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate
CID 71708240
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
2-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69476044
tert-butyl N-[1-(3-bromo-5-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 139392588

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 174512585) is 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is CC(C)(C)OC(=O)NC1CCN(c2nc(Br)c(C(=O)O)s2)CC1.
What is the InChIKey of 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is MUXFKMHOKDOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O4S/c1-14(2,3)22-13(21)16-8-4-6-18(7-5-8)12-17-10(15)9(23-12)11(19)20/h8H,4-7H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 406.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 174512585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).