1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine

C9H16N2OS — CID 63280967

IUPAC1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1scnc1C
InChIInChI=1S/C9H16N2OS/c1-7(5-12-3)10-4-9-8(2)11-6-13-9/h6-7,10H,4-5H2,1-3H3
InChIKeySYGNNNTYIMHQDL-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.58
Rot. Bonds5

About 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine

1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 63280967) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID63280967
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1scnc1C
InChIInChI=1S/C9H16N2OS/c1-7(5-12-3)10-4-9-8(2)11-6-13-9/h6-7,10H,4-5H2,1-3H3
InChIKeySYGNNNTYIMHQDL-UHFFFAOYSA-N
XLogP1.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 63280967) is 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is COCC(C)NCc1scnc1C.
What is the InChIKey of 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is SYGNNNTYIMHQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(5-12-3)10-4-9-8(2)11-6-13-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 63280967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).