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

C12H17N3S — CID 115868006

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCCc1cnc(CNCc2ccn(C)c2)s1
InChIInChI=1S/C12H17N3S/c1-3-11-7-14-12(16-11)8-13-6-10-4-5-15(2)9-10/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKeyISUDCYIDNQOFTH-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.33
Rot. Bonds5

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (PubChem CID 115868006) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
PubChem CID115868006
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCCc1cnc(CNCc2ccn(C)c2)s1
InChIInChI=1S/C12H17N3S/c1-3-11-7-14-12(16-11)8-13-6-10-4-5-15(2)9-10/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKeyISUDCYIDNQOFTH-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 104599771
1-(4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103701879
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-propan-2-ylphenyl)methanamine
CID 103701865
1-(1-tert-butylpyrazol-4-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702005
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-fluoro-3-methylphenyl)methanamine
CID 113243591
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 103701913
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-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115656584

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (CID 115868006) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is CCc1cnc(CNCc2ccn(C)c2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The InChIKey is ISUDCYIDNQOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-11-7-14-12(16-11)8-13-6-10-4-5-15(2)9-10/h4-5,7,9,13H,3,6,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 115868006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).