N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide

C15H26N4OS — CID 79114769

IUPACN-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide
SMILESCCN(C(=O)c1snnc1C(C)(C)C)C1CCC(N)CC1
InChIInChI=1S/C15H26N4OS/c1-5-19(11-8-6-10(16)7-9-11)14(20)12-13(15(2,3)4)17-18-21-12/h10-11H,5-9,16H2,1-4H3
InChIKeyMKTOZNRLJHGWKL-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.57
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide

N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide (PubChem CID 79114769) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide
PubChem CID79114769
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide
SMILESCCN(C(=O)c1snnc1C(C)(C)C)C1CCC(N)CC1
InChIInChI=1S/C15H26N4OS/c1-5-19(11-8-6-10(16)7-9-11)14(20)12-13(15(2,3)4)17-18-21-12/h10-11H,5-9,16H2,1-4H3
InChIKeyMKTOZNRLJHGWKL-UHFFFAOYSA-N
XLogP2.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide (CID 79114769) is N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide is CCN(C(=O)c1snnc1C(C)(C)C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide?
The InChIKey is MKTOZNRLJHGWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-19(11-8-6-10(16)7-9-11)14(20)12-13(15(2,3)4)17-18-21-12/h10-11H,5-9,16H2,1-4H3.
What are the key properties of N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide?
N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 79114769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).