(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine

C12H18N4S — CID 125440368

IUPAC(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
SMILESCCc1nccn1C[C@H](C)NCc1cscn1
InChIInChI=1S/C12H18N4S/c1-3-12-13-4-5-16(12)7-10(2)14-6-11-8-17-9-15-11/h4-5,8-10,14H,3,6-7H2,1-2H3/t10-/m0/s1
InChIKeyIFQZPDDIXPVNEI-JTQLQIEISA-N
MW250.37 g/mol
LogP2.08
Rot. Bonds6

About (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine

(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine (PubChem CID 125440368) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
PubChem CID125440368
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
SMILESCCc1nccn1C[C@H](C)NCc1cscn1
InChIInChI=1S/C12H18N4S/c1-3-12-13-4-5-16(12)7-10(2)14-6-11-8-17-9-15-11/h4-5,8-10,14H,3,6-7H2,1-2H3/t10-/m0/s1
InChIKeyIFQZPDDIXPVNEI-JTQLQIEISA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The IUPAC name of (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine (CID 125440368) is (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine is CCc1nccn1C[C@H](C)NCc1cscn1.
What is the InChIKey of (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The InChIKey is IFQZPDDIXPVNEI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-12-13-4-5-16(12)7-10(2)14-6-11-8-17-9-15-11/h4-5,8-10,14H,3,6-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 125440368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).