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

C18H26N2S — CID 82435037

IUPACN-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2ccc(CC)cc2)nc1C(C)C
InChIInChI=1S/C18H26N2S/c1-5-11-19-12-16-17(13(3)4)20-18(21-16)15-9-7-14(6-2)8-10-15/h7-10,13,19H,5-6,11-12H2,1-4H3
InChIKeyRBGITJBUEUOCEU-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.00
Rot. Bonds7

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

N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82435037) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82435037
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2ccc(CC)cc2)nc1C(C)C
InChIInChI=1S/C18H26N2S/c1-5-11-19-12-16-17(13(3)4)20-18(21-16)15-9-7-14(6-2)8-10-15/h7-10,13,19H,5-6,11-12H2,1-4H3
InChIKeyRBGITJBUEUOCEU-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82433713
N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365306
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080
N-[[2-(4-fluoro-2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365280
N-[[2-(3-ethyl-4-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365234
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 114365185
N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433773
4-[4-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889307
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82435037) is N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(-c2ccc(CC)cc2)nc1C(C)C.
What is the InChIKey of N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is RBGITJBUEUOCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-5-11-19-12-16-17(13(3)4)20-18(21-16)15-9-7-14(6-2)8-10-15/h7-10,13,19H,5-6,11-12H2,1-4H3.
What are the key properties of N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82435037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).