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

C9H11N3S2 — CID 82106393

IUPAC2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1sc(CCN)nc1-c1nccs1
InChIInChI=1S/C9H11N3S2/c1-6-8(9-11-4-5-13-9)12-7(14-6)2-3-10/h4-5H,2-3,10H2,1H3
InChIKeyNHZSKAPPCACYGQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.08
Rot. Bonds3

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

2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 82106393) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID82106393
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1sc(CCN)nc1-c1nccs1
InChIInChI=1S/C9H11N3S2/c1-6-8(9-11-4-5-13-9)12-7(14-6)2-3-10/h4-5H,2-3,10H2,1H3
InChIKeyNHZSKAPPCACYGQ-UHFFFAOYSA-N
XLogP2.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 165447410
2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82670303
2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
CID 39356102
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine
CID 16762381
2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069570
2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
CID 82106871
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
(5-methyl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106270

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 82106393) is 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine is Cc1sc(CCN)nc1-c1nccs1.
What is the InChIKey of 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is NHZSKAPPCACYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6-8(9-11-4-5-13-9)12-7(14-6)2-3-10/h4-5H,2-3,10H2,1H3.
What are the key properties of 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82106393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).