5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid

C14H14ClN5O3S — CID 6917313

IUPAC5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H14ClN5O3S/c15-9-2-1-3-10(8-9)19-4-6-20(7-5-19)14(23)16-12-11(13(21)22)17-18-24-12/h1-3,8H,4-7H2,(H,16,23)(H,21,22)
InChIKeyLUPUUBLLBPVNOE-UHFFFAOYSA-N
MW367.82 g/mol
LogP2.24
Rot. Bonds3

About 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid

5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid (PubChem CID 6917313) has the molecular formula C14H14ClN5O3S and a molecular weight of 367.82 g/mol. Its IUPAC name is 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
PubChem CID6917313
Molecular FormulaC14H14ClN5O3S
Molecular Weight367.82 g/mol
Exact Mass367.05
IUPAC Name5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H14ClN5O3S/c15-9-2-1-3-10(8-9)19-4-6-20(7-5-19)14(23)16-12-11(13(21)22)17-18-24-12/h1-3,8H,4-7H2,(H,16,23)(H,21,22)
InChIKeyLUPUUBLLBPVNOE-UHFFFAOYSA-N
XLogP2.24
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
CID 20932522
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037036
5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid
CID 6917312
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037039
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid?
The IUPAC name of 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid (CID 6917313) is 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid?
The InChIKey is LUPUUBLLBPVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O3S/c15-9-2-1-3-10(8-9)19-4-6-20(7-5-19)14(23)16-12-11(13(21)22)17-18-24-12/h1-3,8H,4-7H2,(H,16,23)(H,21,22).
What are the key properties of 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid?
5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid has a molecular weight of 367.82 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid is sourced from PubChem (CID 6917313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).