1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide

C14H21N7O2S — CID 134695815

IUPAC1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
SMILESCOC(C)c1nnc(NC(=O)c2cn(C3CCC(N)CC3)nn2)s1
InChIInChI=1S/C14H21N7O2S/c1-8(23-2)13-18-19-14(24-13)16-12(22)11-7-21(20-17-11)10-5-3-9(15)4-6-10/h7-10H,3-6,15H2,1-2H3,(H,16,19,22)
InChIKeyFIIDSRKXZQCVCL-UHFFFAOYSA-N
MW351.44 g/mol
LogP1.53
Rot. Bonds5

About 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide (PubChem CID 134695815) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
PubChem CID134695815
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC Name1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
SMILESCOC(C)c1nnc(NC(=O)c2cn(C3CCC(N)CC3)nn2)s1
InChIInChI=1S/C14H21N7O2S/c1-8(23-2)13-18-19-14(24-13)16-12(22)11-7-21(20-17-11)10-5-3-9(15)4-6-10/h7-10H,3-6,15H2,1-2H3,(H,16,19,22)
InChIKeyFIIDSRKXZQCVCL-UHFFFAOYSA-N
XLogP1.53
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide (CID 134695815) is 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide is COC(C)c1nnc(NC(=O)c2cn(C3CCC(N)CC3)nn2)s1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide?
The InChIKey is FIIDSRKXZQCVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-8(23-2)13-18-19-14(24-13)16-12(22)11-7-21(20-17-11)10-5-3-9(15)4-6-10/h7-10H,3-6,15H2,1-2H3,(H,16,19,22).
What are the key properties of 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 134695815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).