N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

C16H22N2S — CID 103701865

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCCc1cnc(CNCc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-4-15-10-18-16(19-15)11-17-9-13-5-7-14(8-6-13)12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyLCCCZWVVUZCSAM-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.12
Rot. Bonds6

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 103701865) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID103701865
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCCc1cnc(CNCc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-4-15-10-18-16(19-15)11-17-9-13-5-7-14(8-6-13)12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyLCCCZWVVUZCSAM-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103701879
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 103701893
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 103701913
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113243591
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 115868006
2-bromo-4-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]aniline
CID 114128297
1-(4-bromo-3-fluorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103773737
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 60982900
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115656584
1-(4-chloro-2-methylphenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104854283

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (CID 103701865) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is CCc1cnc(CNCc2ccc(C(C)C)cc2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is LCCCZWVVUZCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-15-10-18-16(19-15)11-17-9-13-5-7-14(8-6-13)12(2)3/h5-8,10,12,17H,4,9,11H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 274.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 103701865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).