4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

C11H15N3S2 — CID 64545565

IUPAC4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1csc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C11H15N3S2/c1-8(12)10-7-16-11(13-10)14(2)5-9-3-4-15-6-9/h3-4,6-8H,5,12H2,1-2H3
InChIKeyAQPMWYPFHQKPTG-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.86
Rot. Bonds4

About 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 64545565) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID64545565
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1csc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C11H15N3S2/c1-8(12)10-7-16-11(13-10)14(2)5-9-3-4-15-6-9/h3-4,6-8H,5,12H2,1-2H3
InChIKeyAQPMWYPFHQKPTG-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 64545565) is 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is CC(N)c1csc(N(C)Cc2ccsc2)n1.
What is the InChIKey of 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is AQPMWYPFHQKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8(12)10-7-16-11(13-10)14(2)5-9-3-4-15-6-9/h3-4,6-8H,5,12H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 253.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64545565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).