N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

C14H20N4O2S — CID 1467732

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)C1CC1)NC1CCCCC1
InChIInChI=1S/C14H20N4O2S/c19-13(15-10-4-2-1-3-5-10)8-18(11-6-7-11)14(20)12-9-21-17-16-12/h9-11H,1-8H2,(H,15,19)
InChIKeyAISZETIZNPFQOJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 1467732) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID1467732
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)C1CC1)NC1CCCCC1
InChIInChI=1S/C14H20N4O2S/c19-13(15-10-4-2-1-3-5-10)8-18(11-6-7-11)14(20)12-9-21-17-16-12/h9-11H,1-8H2,(H,15,19)
InChIKeyAISZETIZNPFQOJ-UHFFFAOYSA-N
XLogP1.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 1467732) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)C1CC1)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is AISZETIZNPFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13(15-10-4-2-1-3-5-10)8-18(11-6-7-11)14(20)12-9-21-17-16-12/h9-11H,1-8H2,(H,15,19).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 1467732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).