N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

C14H23N5OS — CID 108780898

IUPACN-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(N2CCN(C(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C14H23N5OS/c1-11-16-17-14(21-11)19-9-7-18(8-10-19)13(20)15-12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,15,20)
InChIKeyNRZVOSKDIFABRN-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.01
Rot. Bonds2

About N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide (PubChem CID 108780898) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
PubChem CID108780898
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
SMILESCc1nnc(N2CCN(C(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C14H23N5OS/c1-11-16-17-14(21-11)19-9-7-18(8-10-19)13(20)15-12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,15,20)
InChIKeyNRZVOSKDIFABRN-UHFFFAOYSA-N
XLogP2.01
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296
2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108753212
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
(2S,3aS,7aS)-N-cyclopentyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366734
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
3-bromo-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729598
methyl 3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]benzoate
CID 113110616

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide (CID 108780898) is N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide is Cc1nnc(N2CCN(C(=O)NC3CCCCC3)CC2)s1.
What is the InChIKey of N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is NRZVOSKDIFABRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-11-16-17-14(21-11)19-9-7-18(8-10-19)13(20)15-12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,15,20).
What are the key properties of N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108780898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).