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

C9H11N3S2 — CID 130512401

IUPAC2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCc1nc(-c2nc(CCN)cs2)cs1
InChIInChI=1S/C9H11N3S2/c1-6-11-8(5-13-6)9-12-7(2-3-10)4-14-9/h4-5H,2-3,10H2,1H3
InChIKeyJIWNZAGPVJLKBT-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.08
Rot. Bonds3

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

2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 130512401) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID130512401
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCc1nc(-c2nc(CCN)cs2)cs1
InChIInChI=1S/C9H11N3S2/c1-6-11-8(5-13-6)9-12-7(2-3-10)4-14-9/h4-5H,2-3,10H2,1H3
InChIKeyJIWNZAGPVJLKBT-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-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115531309
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 130162444
2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine
CID 105473201
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
2-[2-(1H-pyrazol-5-yl)-1,3-thiazol-4-yl]ethanamine
CID 69030660
[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 58112094
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine (CID 130512401) is 2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine is Cc1nc(-c2nc(CCN)cs2)cs1.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is JIWNZAGPVJLKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6-11-8(5-13-6)9-12-7(2-3-10)4-14-9/h4-5H,2-3,10H2,1H3.
What are the key properties of 2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-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-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 130512401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).