1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid

C9H12ClN3O2S — CID 167902375

IUPAC1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2nnc(Cl)s2)CC1
InChIInChI=1S/C9H12ClN3O2S/c1-9(6(14)15)2-4-13(5-3-9)8-12-11-7(10)16-8/h2-5H2,1H3,(H,14,15)
InChIKeyYTNXISVJOZQNHD-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.88
Rot. Bonds2

About 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid

1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 167902375) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid
PubChem CID167902375
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2nnc(Cl)s2)CC1
InChIInChI=1S/C9H12ClN3O2S/c1-9(6(14)15)2-4-13(5-3-9)8-12-11-7(10)16-8/h2-5H2,1H3,(H,14,15)
InChIKeyYTNXISVJOZQNHD-UHFFFAOYSA-N
XLogP1.88
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid
CID 154845323
3-methyl-1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxylic acid
CID 122052613
1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052316
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 63124102
1-(4-carbamoyl-2-pyridinyl)-4-methylpiperidine-4-carboxylic acid
CID 63124598
CID 123869444
CID 123869444
ethyl 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387249
4-propyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylic acid
CID 114449365
2-[[5-(4,4-dimethylazepan-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 65282272
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-chlorophenyl)piperidin-4-ol
CID 163351860
4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid
CID 143699099
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123700

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid (CID 167902375) is 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(c2nnc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is YTNXISVJOZQNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-9(6(14)15)2-4-13(5-3-9)8-12-11-7(10)16-8/h2-5H2,1H3,(H,14,15).
What are the key properties of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid?
1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 261.73 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 167902375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).