(2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine

C13H25N3S — CID 170534839

IUPAC(2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine
SMILESCc1nnc(C[C@H](CC(C)C)NC(C)(C)C)s1
InChIInChI=1S/C13H25N3S/c1-9(2)7-11(14-13(4,5)6)8-12-16-15-10(3)17-12/h9,11,14H,7-8H2,1-6H3/t11-/m0/s1
InChIKeyZEUFAPJBCHDJNV-NSHDSACASA-N
MW255.43 g/mol
LogP3.19
Rot. Bonds5

About (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine

(2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine (PubChem CID 170534839) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine
PubChem CID170534839
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name(2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine
SMILESCc1nnc(C[C@H](CC(C)C)NC(C)(C)C)s1
InChIInChI=1S/C13H25N3S/c1-9(2)7-11(14-13(4,5)6)8-12-16-15-10(3)17-12/h9,11,14H,7-8H2,1-6H3/t11-/m0/s1
InChIKeyZEUFAPJBCHDJNV-NSHDSACASA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine?
The IUPAC name of (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine (CID 170534839) is (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine.
What is the SMILES notation for (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine?
The canonical SMILES for (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine is Cc1nnc(C[C@H](CC(C)C)NC(C)(C)C)s1.
What is the InChIKey of (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine?
The InChIKey is ZEUFAPJBCHDJNV-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3S/c1-9(2)7-11(14-13(4,5)6)8-12-16-15-10(3)17-12/h9,11,14H,7-8H2,1-6H3/t11-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine?
(2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 170534839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).