N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C15H21BrN2S — CID 81289937

IUPACN-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cc(Br)ccc1NC1=NC(CC(C)C)CS1
InChIInChI=1S/C15H21BrN2S/c1-4-11-8-12(16)5-6-14(11)18-15-17-13(9-19-15)7-10(2)3/h5-6,8,10,13H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyYSKLQIDQBXJBMM-UHFFFAOYSA-N
MW341.32 g/mol
LogP4.94
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 81289937) has the molecular formula C15H21BrN2S and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID81289937
Molecular FormulaC15H21BrN2S
Molecular Weight341.32 g/mol
Exact Mass340.06
IUPAC NameN-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1cc(Br)ccc1NC1=NC(CC(C)C)CS1
InChIInChI=1S/C15H21BrN2S/c1-4-11-8-12(16)5-6-14(11)18-15-17-13(9-19-15)7-10(2)3/h5-6,8,10,13H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyYSKLQIDQBXJBMM-UHFFFAOYSA-N
XLogP4.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 81289937) is N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCc1cc(Br)ccc1NC1=NC(CC(C)C)CS1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YSKLQIDQBXJBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2S/c1-4-11-8-12(16)5-6-14(11)18-15-17-13(9-19-15)7-10(2)3/h5-6,8,10,13H,4,7,9H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 341.32 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 81289937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).