3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C15H24N4S — CID 97066979

IUPAC3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1nc(C(C)C)sc1[C@H](C)NCCCn1ccnc1
InChIInChI=1S/C15H24N4S/c1-11(2)15-18-13(4)14(20-15)12(3)17-6-5-8-19-9-7-16-10-19/h7,9-12,17H,5-6,8H2,1-4H3/t12-/m0/s1
InChIKeyNPYIAJHMBHGOJE-LBPRGKRZSA-N
MW292.45 g/mol
LogP3.51
Rot. Bonds7

About 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine

3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 97066979) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID97066979
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1nc(C(C)C)sc1[C@H](C)NCCCn1ccnc1
InChIInChI=1S/C15H24N4S/c1-11(2)15-18-13(4)14(20-15)12(3)17-6-5-8-19-9-7-16-10-19/h7,9-12,17H,5-6,8H2,1-4H3/t12-/m0/s1
InChIKeyNPYIAJHMBHGOJE-LBPRGKRZSA-N
XLogP3.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 97066979) is 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine is Cc1nc(C(C)C)sc1[C@H](C)NCCCn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is NPYIAJHMBHGOJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11(2)15-18-13(4)14(20-15)12(3)17-6-5-8-19-9-7-16-10-19/h7,9-12,17H,5-6,8H2,1-4H3/t12-/m0/s1.
What are the key properties of 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 97066979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).