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

C11H17N5S — CID 95204414

IUPAC(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCCc1csc(CN[C@H](C)Cn2cncn2)n1
InChIInChI=1S/C11H17N5S/c1-3-10-6-17-11(15-10)4-13-9(2)5-16-8-12-7-14-16/h6-9,13H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyKAWPQQXPMZSIGU-SECBINFHSA-N
MW251.36 g/mol
LogP1.48
Rot. Bonds6

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

(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 95204414) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID95204414
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCCc1csc(CN[C@H](C)Cn2cncn2)n1
InChIInChI=1S/C11H17N5S/c1-3-10-6-17-11(15-10)4-13-9(2)5-16-8-12-7-14-16/h6-9,13H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyKAWPQQXPMZSIGU-SECBINFHSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 125446584
1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 56714130
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95278974
(2R)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95223818
(2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 125439339
(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 129369537
(2S)-N-[(4-bromo-3-methylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95902252
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 167842759
N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 95204414) is (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is CCc1csc(CN[C@H](C)Cn2cncn2)n1.
What is the InChIKey of (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is KAWPQQXPMZSIGU-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-10-6-17-11(15-10)4-13-9(2)5-16-8-12-7-14-16/h6-9,13H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 95204414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).