2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine

C10H14N4S2 — CID 57267342

IUPAC2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1nc(-c2cscn2)c(CCN)s1
InChIInChI=1S/C10H14N4S2/c11-3-1-8-10(7-5-15-6-13-7)14-9(16-8)2-4-12/h5-6H,1-4,11-12H2
InChIKeyXOAFAKTYTOMXAC-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine

2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 57267342) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID57267342
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1nc(-c2cscn2)c(CCN)s1
InChIInChI=1S/C10H14N4S2/c11-3-1-8-10(7-5-15-6-13-7)14-9(16-8)2-4-12/h5-6H,1-4,11-12H2
InChIKeyXOAFAKTYTOMXAC-UHFFFAOYSA-N
XLogP1.27
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 57267342) is 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine is NCCc1nc(-c2cscn2)c(CCN)s1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XOAFAKTYTOMXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c11-3-1-8-10(7-5-15-6-13-7)14-9(16-8)2-4-12/h5-6H,1-4,11-12H2.
What are the key properties of 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 57267342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).