4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine

C6H11N3S — CID 127003453

IUPAC4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1C(C)N
InChIInChI=1S/C6H11N3S/c1-3(7)5-4(2)10-6(8)9-5/h3H,7H2,1-2H3,(H2,8,9)
InChIKeyXMCJIOQLUUPDMU-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.05
Rot. Bonds1

About 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine

4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 127003453) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID127003453
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1C(C)N
InChIInChI=1S/C6H11N3S/c1-3(7)5-4(2)10-6(8)9-5/h3H,7H2,1-2H3,(H2,8,9)
InChIKeyXMCJIOQLUUPDMU-UHFFFAOYSA-N
XLogP1.05
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine (CID 127003453) is 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1C(C)N.
What is the InChIKey of 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is XMCJIOQLUUPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3(7)5-4(2)10-6(8)9-5/h3H,7H2,1-2H3,(H2,8,9).
What are the key properties of 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine?
4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 157.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 127003453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).