N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide

C20H26N6O2S — CID 17037036

IUPACN-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nnsc1NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N6O2S/c27-18(21-15-7-3-1-4-8-15)17-19(29-24-23-17)22-20(28)26-13-11-25(12-14-26)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,21,27)(H,22,28)
InChIKeyRUFCFRYQHHQYRE-UHFFFAOYSA-N
MW414.54 g/mol
LogP2.95
Rot. Bonds4

About N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide

N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide (PubChem CID 17037036) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
PubChem CID17037036
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC NameN-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nnsc1NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N6O2S/c27-18(21-15-7-3-1-4-8-15)17-19(29-24-23-17)22-20(28)26-13-11-25(12-14-26)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,21,27)(H,22,28)
InChIKeyRUFCFRYQHHQYRE-UHFFFAOYSA-N
XLogP2.95
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
CID 6917313
N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037039
5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid
CID 1499147
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
CID 20932522
5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
CID 6498288
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclopentyl-4-phenylpiperazine-1-carbothioamide
CID 892113
4-(4-methoxyphenyl)-N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
CID 17037024

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide (CID 17037036) is N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide is O=C(NC1CCCCC1)c1nnsc1NC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The InChIKey is RUFCFRYQHHQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c27-18(21-15-7-3-1-4-8-15)17-19(29-24-23-17)22-20(28)26-13-11-25(12-14-26)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,21,27)(H,22,28).
What are the key properties of N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide?
N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide has a molecular weight of 414.54 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 17037036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).