N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide

C14H24N4O2S — CID 4994338

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
SMILESCC(C)CCN(CC(=O)NC(C)(C)C)C(=O)c1csnn1
InChIInChI=1S/C14H24N4O2S/c1-10(2)6-7-18(8-12(19)15-14(3,4)5)13(20)11-9-21-17-16-11/h9-10H,6-8H2,1-5H3,(H,15,19)
InChIKeyIXCQEJMHUGUNFV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.94
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide (PubChem CID 4994338) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
PubChem CID4994338
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
SMILESCC(C)CCN(CC(=O)NC(C)(C)C)C(=O)c1csnn1
InChIInChI=1S/C14H24N4O2S/c1-10(2)6-7-18(8-12(19)15-14(3,4)5)13(20)11-9-21-17-16-11/h9-10H,6-8H2,1-5H3,(H,15,19)
InChIKeyIXCQEJMHUGUNFV-UHFFFAOYSA-N
XLogP1.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide (CID 4994338) is N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide is CC(C)CCN(CC(=O)NC(C)(C)C)C(=O)c1csnn1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide?
The InChIKey is IXCQEJMHUGUNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-10(2)6-7-18(8-12(19)15-14(3,4)5)13(20)11-9-21-17-16-11/h9-10H,6-8H2,1-5H3,(H,15,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 4994338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).