5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine

C9H17N3S — CID 62752198

IUPAC5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCN(C)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C9H17N3S/c1-5-12(4)9-11-7(3)8(13-9)6(2)10/h6H,5,10H2,1-4H3
InChIKeyOIPVRGDNWWGZNI-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.93
Rot. Bonds3

About 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 62752198) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID62752198
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCN(C)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C9H17N3S/c1-5-12(4)9-11-7(3)8(13-9)6(2)10/h6H,5,10H2,1-4H3
InChIKeyOIPVRGDNWWGZNI-UHFFFAOYSA-N
XLogP1.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine (CID 62752198) is 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine is CCN(C)c1nc(C)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OIPVRGDNWWGZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-5-12(4)9-11-7(3)8(13-9)6(2)10/h6H,5,10H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62752198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).