3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one

C9H14N2OS — CID 60671965

IUPAC3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCNC1CC1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-9(12)11(7)5-4-10-8-2-3-8/h6,8,10H,2-5H2,1H3
InChIKeyQGUSUWKVOWBMRJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.97
Rot. Bonds4

About 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 60671965) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID60671965
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCNC1CC1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-9(12)11(7)5-4-10-8-2-3-8/h6,8,10H,2-5H2,1H3
InChIKeyQGUSUWKVOWBMRJ-UHFFFAOYSA-N
XLogP0.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one (CID 60671965) is 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCNC1CC1.
What is the InChIKey of 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is QGUSUWKVOWBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-6-13-9(12)11(7)5-4-10-8-2-3-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 60671965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).