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

C5H9N3S — CID 64545491

IUPAC4-(1-aminoethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1csc(N)n1
InChIInChI=1S/C5H9N3S/c1-3(6)4-2-9-5(7)8-4/h2-3H,6H2,1H3,(H2,7,8)
InChIKeyXHRDXPTWYNDGKL-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.75
Rot. Bonds1

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

4-(1-aminoethyl)-1,3-thiazol-2-amine (PubChem CID 64545491) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 4-(1-aminoethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-1,3-thiazol-2-amine
PubChem CID64545491
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name4-(1-aminoethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1csc(N)n1
InChIInChI=1S/C5H9N3S/c1-3(6)4-2-9-5(7)8-4/h2-3H,6H2,1H3,(H2,7,8)
InChIKeyXHRDXPTWYNDGKL-UHFFFAOYSA-N
XLogP0.75
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Dimethylamino)methyl]-1,3-thiazol-2-amine
CID 351685
4-Ethyl-1,3-thiazol-2-amine
CID 12378205
4-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 10964631
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 28948815
4-(Propan-2-yl)-1,3-thiazol-2-amine
CID 7064077
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 18184162
1-(1,3-Thiazol-4-yl)ethan-1-amine
CID 18612358
alpha-Methyl-2-(1-methylethyl)-4-thiazolemethanamine
CID 21667605
1-(2-Ethyl-1,3-thiazol-4-yl)ethan-1-amine
CID 45121661
4-(3-Aminopropyl)-1,3-Thiazol-2-Amine Dihydrochloride
CID 47000672
4-(Aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine dihydrochloride
CID 47000696

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-1,3-thiazol-2-amine (CID 64545491) is 4-(1-aminoethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-1,3-thiazol-2-amine is CC(N)c1csc(N)n1.
What is the InChIKey of 4-(1-aminoethyl)-1,3-thiazol-2-amine?
The InChIKey is XHRDXPTWYNDGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3(6)4-2-9-5(7)8-4/h2-3H,6H2,1H3,(H2,7,8).
What are the key properties of 4-(1-aminoethyl)-1,3-thiazol-2-amine?
4-(1-aminoethyl)-1,3-thiazol-2-amine has a molecular weight of 143.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64545491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).