(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine

C11H17N5S — CID 95901404

IUPAC(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
SMILESCC[C@](C)(NCCn1cncn1)c1nccs1
InChIInChI=1S/C11H17N5S/c1-3-11(2,10-13-5-7-17-10)14-4-6-16-9-12-8-15-16/h5,7-9,14H,3-4,6H2,1-2H3/t11-/m0/s1
InChIKeyPZWPRRJZXKUXFV-NSHDSACASA-N
MW251.36 g/mol
LogP1.65
Rot. Bonds6

About (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine

(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine (PubChem CID 95901404) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
PubChem CID95901404
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
SMILESCC[C@](C)(NCCn1cncn1)c1nccs1
InChIInChI=1S/C11H17N5S/c1-3-11(2,10-13-5-7-17-10)14-4-6-16-9-12-8-15-16/h5,7-9,14H,3-4,6H2,1-2H3/t11-/m0/s1
InChIKeyPZWPRRJZXKUXFV-NSHDSACASA-N
XLogP1.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine with MolForge

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Related Compounds

(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901402
2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione
CID 95901390
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 122132301
1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
CID 111496642
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 99628577
N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine
CID 104583939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine?
The IUPAC name of (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine (CID 95901404) is (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine is CC[C@](C)(NCCn1cncn1)c1nccs1.
What is the InChIKey of (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine?
The InChIKey is PZWPRRJZXKUXFV-NSHDSACASA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-11(2,10-13-5-7-17-10)14-4-6-16-9-12-8-15-16/h5,7-9,14H,3-4,6H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine?
(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 95901404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).