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

C13H19N3S — CID 62473870

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1csc(CNCc2cc(C)n(C)c2C)n1
InChIInChI=1S/C13H19N3S/c1-9-8-17-13(15-9)7-14-6-12-5-10(2)16(4)11(12)3/h5,8,14H,6-7H2,1-4H3
InChIKeyNWLZOSMKDYXZGE-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.70
Rot. Bonds4

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (PubChem CID 62473870) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
PubChem CID62473870
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1csc(CNCc2cc(C)n(C)c2C)n1
InChIInChI=1S/C13H19N3S/c1-9-8-17-13(15-9)7-14-6-12-5-10(2)16(4)11(12)3/h5,8,14H,6-7H2,1-4H3
InChIKeyNWLZOSMKDYXZGE-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104853912
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103721557
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
CID 62755804
1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
1-(3-methylimidazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62998460
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine
CID 115672738
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
CID 54913363
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
CID 130686343

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (CID 62473870) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is Cc1csc(CNCc2cc(C)n(C)c2C)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The InChIKey is NWLZOSMKDYXZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9-8-17-13(15-9)7-14-6-12-5-10(2)16(4)11(12)3/h5,8,14H,6-7H2,1-4H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine has a molecular weight of 249.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 62473870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).