N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine

C11H15N3S2 — CID 115895004

IUPACN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ncc(CCNC(C)c2nccs2)s1
InChIInChI=1S/C11H15N3S2/c1-8(11-13-5-6-15-11)12-4-3-10-7-14-9(2)16-10/h5-8,12H,3-4H2,1-2H3
InChIKeySSKRVBLWNDMJEN-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 115895004) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID115895004
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ncc(CCNC(C)c2nccs2)s1
InChIInChI=1S/C11H15N3S2/c1-8(11-13-5-6-15-11)12-4-3-10-7-14-9(2)16-10/h5-8,12H,3-4H2,1-2H3
InChIKeySSKRVBLWNDMJEN-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 115895004) is N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine is Cc1ncc(CCNC(C)c2nccs2)s1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is SSKRVBLWNDMJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8(11-13-5-6-15-11)12-4-3-10-7-14-9(2)16-10/h5-8,12H,3-4H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 253.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115895004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).