N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine

C8H14N2S — CID 61281146

IUPACN-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
SMILESCCCc1ncc(CNC)s1
InChIInChI=1S/C8H14N2S/c1-3-4-8-10-6-7(11-8)5-9-2/h6,9H,3-5H2,1-2H3
InChIKeyNYIXEYFJFQNBFM-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine

N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine (PubChem CID 61281146) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
PubChem CID61281146
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
SMILESCCCc1ncc(CNC)s1
InChIInChI=1S/C8H14N2S/c1-3-4-8-10-6-7(11-8)5-9-2/h6,9H,3-5H2,1-2H3
InChIKeyNYIXEYFJFQNBFM-UHFFFAOYSA-N
XLogP1.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine (CID 61281146) is N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine is CCCc1ncc(CNC)s1.
What is the InChIKey of N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is NYIXEYFJFQNBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-8-10-6-7(11-8)5-9-2/h6,9H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine?
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 170.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 61281146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).