3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C12H21N3OS — CID 133495081

IUPAC3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCC(Nc1nc(C(C)(C)C)ns1)C1CC1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-9(7-16-4)8-5-6-8/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyPIVTWJFLWIDIHK-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.67
Rot. Bonds5

About 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133495081) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133495081
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCC(Nc1nc(C(C)(C)C)ns1)C1CC1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-9(7-16-4)8-5-6-8/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyPIVTWJFLWIDIHK-UHFFFAOYSA-N
XLogP2.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-methoxybutane-1,3-diamine
CID 114163261
2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-cyclopropyl-N-methylethanamine
CID 65280062
3-tert-butyl-N-(3,3-dimethylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104828840
N-[2-(4-aminocyclohexyl)oxyethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65276168
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 65270930
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methoxypropan-2-amine
CID 65280781
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65271490
1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65276177
N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65278010
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65273610
3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 129001161

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 133495081) is 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCC(Nc1nc(C(C)(C)C)ns1)C1CC1.
What is the InChIKey of 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PIVTWJFLWIDIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-9(7-16-4)8-5-6-8/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1-cyclopropyl-2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133495081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).