N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine

C10H13N3S2 — CID 70991421

IUPACN,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCCN(Cc1nccs1)Cc1nccs1
InChIInChI=1S/C10H13N3S2/c1-2-13(7-9-11-3-5-14-9)8-10-12-4-6-15-10/h3-6H,2,7-8H2,1H3
InChIKeyRRXYAAHKDIARRX-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.62
Rot. Bonds5

About N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine

N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 70991421) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID70991421
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC NameN,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCCN(Cc1nccs1)Cc1nccs1
InChIInChI=1S/C10H13N3S2/c1-2-13(7-9-11-3-5-14-9)8-10-12-4-6-15-10/h3-6H,2,7-8H2,1H3
InChIKeyRRXYAAHKDIARRX-UHFFFAOYSA-N
XLogP2.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl((1,3-thiazol-2-yl)methyl)amine
CID 18939834
2-(1,3-Thiazol-2-yldisulfanyl)-1,3-thiazole
CID 357976
1,3-Thiazole-2-carbothioamide
CID 15166172
Dimethyl-[2-(thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374226
2,3-Dimethyl-1,3-thiazol-3-ium iodide
CID 12367518
Thiazole, 2,2'-thiobis-
CID 608243
Thiazole, 2,2'-methylenebis-
CID 642343
4-Bromo-2,2'-bithiazole
CID 91027590
2-(3-Pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 10313490
N,N-Dimethyl-3-(2-thiazolyl)-2-propyn-1-amine
CID 20071656
Trimethyl-[3-(1,3-thiazol-2-yl)prop-2-ynyl]azanium
CID 20071660
NoName_3303
CID 819109

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine (CID 70991421) is N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine is CCN(Cc1nccs1)Cc1nccs1.
What is the InChIKey of N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is RRXYAAHKDIARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-2-13(7-9-11-3-5-14-9)8-10-12-4-6-15-10/h3-6H,2,7-8H2,1H3.
What are the key properties of N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine?
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 239.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 70991421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).