5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine

C11H19N3S — CID 43754627

IUPAC5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CC2)s1
InChIInChI=1S/C11H19N3S/c1-3-14(4-2)11-13-8-10(15-11)7-12-9-5-6-9/h8-9,12H,3-7H2,1-2H3
InChIKeyQKEIIBREDAXBFA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.24
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 43754627) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID43754627
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CC2)s1
InChIInChI=1S/C11H19N3S/c1-3-14(4-2)11-13-8-10(15-11)7-12-9-5-6-9/h8-9,12H,3-7H2,1-2H3
InChIKeyQKEIIBREDAXBFA-UHFFFAOYSA-N
XLogP2.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 43754627) is 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is QKEIIBREDAXBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-14(4-2)11-13-8-10(15-11)7-12-9-5-6-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43754627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).