N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine

C8H14N2S — CID 62402682

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(C)nc1C
InChIInChI=1S/C8H14N2S/c1-4-9-5-8-6(2)10-7(3)11-8/h9H,4-5H2,1-3H3
InChIKeyRVHWNHQPSFUSQX-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.87
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 62402682) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID62402682
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(C)nc1C
InChIInChI=1S/C8H14N2S/c1-4-9-5-8-6(2)10-7(3)11-8/h9H,4-5H2,1-3H3
InChIKeyRVHWNHQPSFUSQX-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 62402682) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is RVHWNHQPSFUSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-9-5-8-6(2)10-7(3)11-8/h9H,4-5H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 170.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 62402682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).