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

C7H13N3S — CID 15017654

IUPAC4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CCN)cs1
InChIInChI=1S/C7H13N3S/c1-10(2)7-9-6(3-4-8)5-11-7/h5H,3-4,8H2,1-2H3
InChIKeyQKGBVDNCHIWTSM-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.71
Rot. Bonds3

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

4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 15017654) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID15017654
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CCN)cs1
InChIInChI=1S/C7H13N3S/c1-10(2)7-9-6(3-4-8)5-11-7/h5H,3-4,8H2,1-2H3
InChIKeyQKGBVDNCHIWTSM-UHFFFAOYSA-N
XLogP0.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine (CID 15017654) is 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(CCN)cs1.
What is the InChIKey of 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is QKGBVDNCHIWTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-10(2)7-9-6(3-4-8)5-11-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 15017654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).