N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide

C15H24N4O3S — CID 3222542

IUPACN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)c1csnn1
InChIInChI=1S/C15H24N4O3S/c1-4-15(2,3)16-13(20)9-19(8-11-6-5-7-22-11)14(21)12-10-23-18-17-12/h10-11H,4-9H2,1-3H3,(H,16,20)
InChIKeyAOACSTRZYSVGTI-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.46
Rot. Bonds7

About N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide

N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide (PubChem CID 3222542) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
PubChem CID3222542
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)c1csnn1
InChIInChI=1S/C15H24N4O3S/c1-4-15(2,3)16-13(20)9-19(8-11-6-5-7-22-11)14(21)12-10-23-18-17-12/h10-11H,4-9H2,1-3H3,(H,16,20)
InChIKeyAOACSTRZYSVGTI-UHFFFAOYSA-N
XLogP1.46
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide (CID 3222542) is N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The InChIKey is AOACSTRZYSVGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-4-15(2,3)16-13(20)9-19(8-11-6-5-7-22-11)14(21)12-10-23-18-17-12/h10-11H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).