N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine

C8H9N3S2 — CID 63612751

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCC(Nc1nccs1)c1nccs1
InChIInChI=1S/C8H9N3S2/c1-6(7-9-2-4-12-7)11-8-10-3-5-13-8/h2-6H,1H3,(H,10,11)
InChIKeyGKOTUXIMZSBNSG-UHFFFAOYSA-N
MW211.32 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine

N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 63612751) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID63612751
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCC(Nc1nccs1)c1nccs1
InChIInChI=1S/C8H9N3S2/c1-6(7-9-2-4-12-7)11-8-10-3-5-13-8/h2-6H,1H3,(H,10,11)
InChIKeyGKOTUXIMZSBNSG-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
CID 107706770
4-chloro-2-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carbonitrile
CID 106595609
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 104828727
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole
CID 112689953
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-but-3-yn-2-yl-1,3-thiazol-2-amine
CID 114417967
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240
6-N-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80844662
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine (CID 63612751) is N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine is CC(Nc1nccs1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is GKOTUXIMZSBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-6(7-9-2-4-12-7)11-8-10-3-5-13-8/h2-6H,1H3,(H,10,11).
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 211.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63612751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).