(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine

C15H24N4S — CID 125441890

IUPAC(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCCCc1nc(CN[C@@H](C)Cn2ccnc2CC)cs1
InChIInChI=1S/C15H24N4S/c1-4-6-15-18-13(11-20-15)9-17-12(3)10-19-8-7-16-14(19)5-2/h7-8,11-12,17H,4-6,9-10H2,1-3H3/t12-/m0/s1
InChIKeyOETDGNJGLKWDBK-LBPRGKRZSA-N
MW292.45 g/mol
LogP3.03
Rot. Bonds8

About (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine

(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 125441890) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID125441890
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCCCc1nc(CN[C@@H](C)Cn2ccnc2CC)cs1
InChIInChI=1S/C15H24N4S/c1-4-6-15-18-13(11-20-15)9-17-12(3)10-19-8-7-16-14(19)5-2/h7-8,11-12,17H,4-6,9-10H2,1-3H3/t12-/m0/s1
InChIKeyOETDGNJGLKWDBK-LBPRGKRZSA-N
XLogP3.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.03
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-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 125441890) is (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine is CCCc1nc(CN[C@@H](C)Cn2ccnc2CC)cs1.
What is the InChIKey of (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is OETDGNJGLKWDBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-6-15-18-13(11-20-15)9-17-12(3)10-19-8-7-16-14(19)5-2/h7-8,11-12,17H,4-6,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.03, 8 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-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 125441890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).