N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide

C13H21N3O2S — CID 136521981

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide
SMILESCC1(C(=O)Nc2nc(C(C)(C)C)ns2)CCCOC1
InChIInChI=1S/C13H21N3O2S/c1-12(2,3)9-14-11(19-16-9)15-10(17)13(4)6-5-7-18-8-13/h5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyBVPNNEAWROSNTN-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.59
Rot. Bonds2

About N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide (PubChem CID 136521981) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide
PubChem CID136521981
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide
SMILESCC1(C(=O)Nc2nc(C(C)(C)C)ns2)CCCOC1
InChIInChI=1S/C13H21N3O2S/c1-12(2,3)9-14-11(19-16-9)15-10(17)13(4)6-5-7-18-8-13/h5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyBVPNNEAWROSNTN-UHFFFAOYSA-N
XLogP2.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxan-4-ol
CID 81130479
2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol
CID 133494662
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763069
3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 114095034
2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid
CID 81161780
5-methyl-2-[[(3-methyloxane-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 138005938
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide
CID 167914072
N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305153
phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
CID 162365120
1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079292
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 132969372
(3aS,6aR)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole-5-carboxamide
CID 136585502

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide (CID 136521981) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide is CC1(C(=O)Nc2nc(C(C)(C)C)ns2)CCCOC1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide?
The InChIKey is BVPNNEAWROSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12(2,3)9-14-11(19-16-9)15-10(17)13(4)6-5-7-18-8-13/h5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyloxane-3-carboxamide is sourced from PubChem (CID 136521981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).