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

C12H19N5S — CID 125446584

IUPAC(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCCc1nc(CCN[C@@H](C)Cn2cncn2)cs1
InChIInChI=1S/C12H19N5S/c1-3-12-16-11(7-18-12)4-5-14-10(2)6-17-9-13-8-15-17/h7-10,14H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyFAJAMIOICCPCTF-JTQLQIEISA-N
MW265.39 g/mol
LogP1.52
Rot. Bonds7

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

(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 125446584) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID125446584
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCCc1nc(CCN[C@@H](C)Cn2cncn2)cs1
InChIInChI=1S/C12H19N5S/c1-3-12-16-11(7-18-12)4-5-14-10(2)6-17-9-13-8-15-17/h7-10,14H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyFAJAMIOICCPCTF-JTQLQIEISA-N
XLogP1.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95204414
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115716293
(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124756628
(2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125173086
(2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 125441563
(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95278974
N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562960
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115607889
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
(2S)-1-(4-methylpyrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
CID 95298841

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 125446584) is (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is CCc1nc(CCN[C@@H](C)Cn2cncn2)cs1.
What is the InChIKey of (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is FAJAMIOICCPCTF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5S/c1-3-12-16-11(7-18-12)4-5-14-10(2)6-17-9-13-8-15-17/h7-10,14H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 265.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 125446584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).