4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid

C16H26BrN5O2S — CID 175336050

IUPAC4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid
SMILESCC(C)(CN1CCN(c2nnc(Br)s2)CC1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H26BrN5O2S/c1-16(2,12-3-5-22(6-4-12)15(23)24)11-20-7-9-21(10-8-20)14-19-18-13(17)25-14/h12H,3-11H2,1-2H3,(H,23,24)
InChIKeyGCMHTMQXTRUPAE-UHFFFAOYSA-N
MW432.39 g/mol
LogP2.84
Rot. Bonds4

About 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid

4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid (PubChem CID 175336050) has the molecular formula C16H26BrN5O2S and a molecular weight of 432.39 g/mol. Its IUPAC name is 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid
PubChem CID175336050
Molecular FormulaC16H26BrN5O2S
Molecular Weight432.39 g/mol
Exact Mass431.10
IUPAC Name4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid
SMILESCC(C)(CN1CCN(c2nnc(Br)s2)CC1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H26BrN5O2S/c1-16(2,12-3-5-22(6-4-12)15(23)24)11-20-7-9-21(10-8-20)14-19-18-13(17)25-14/h12H,3-11H2,1-2H3,(H,23,24)
InChIKeyGCMHTMQXTRUPAE-UHFFFAOYSA-N
XLogP2.84
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 146382334
N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane
CID 153404964
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane
CID 153404952
[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate
CID 170162412
1-[3-(5-bromo-1,3,4-thiadiazol-2-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-hydroxy-2-methylpropan-1-one
CID 146382449
4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid
CID 91225610
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570720
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 133366067
1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 82477525
ethyl 4-[2-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759928
1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 126758394
[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357830

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid (CID 175336050) is 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid is CC(C)(CN1CCN(c2nnc(Br)s2)CC1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid?
The InChIKey is GCMHTMQXTRUPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN5O2S/c1-16(2,12-3-5-22(6-4-12)15(23)24)11-20-7-9-21(10-8-20)14-19-18-13(17)25-14/h12H,3-11H2,1-2H3,(H,23,24).
What are the key properties of 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid?
4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid has a molecular weight of 432.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175336050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).