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

C12H20N2S2 — CID 80528676

IUPAC1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCCc1ncc(CNCC2(C)CCCS2)s1
InChIInChI=1S/C12H20N2S2/c1-3-11-14-8-10(16-11)7-13-9-12(2)5-4-6-15-12/h8,13H,3-7,9H2,1-2H3
InChIKeyVKFVULMNEAUZOY-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.08
Rot. Bonds5

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

1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 80528676) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID80528676
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCCc1ncc(CNCC2(C)CCCS2)s1
InChIInChI=1S/C12H20N2S2/c1-3-11-14-8-10(16-11)7-13-9-12(2)5-4-6-15-12/h8,13H,3-7,9H2,1-2H3
InChIKeyVKFVULMNEAUZOY-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 80528676) is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is CCc1ncc(CNCC2(C)CCCS2)s1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is VKFVULMNEAUZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-3-11-14-8-10(16-11)7-13-9-12(2)5-4-6-15-12/h8,13H,3-7,9H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 256.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 80528676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).