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

C10H13N3S — CID 136988524

IUPAC2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc[nH]2)sc1CCN
InChIInChI=1S/C10H13N3S/c1-7-9(4-5-11)14-10(13-7)8-3-2-6-12-8/h2-3,6,12H,4-5,11H2,1H3
InChIKeyRMUDHOYYRZCBRT-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.95
Rot. Bonds3

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

2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 136988524) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID136988524
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc[nH]2)sc1CCN
InChIInChI=1S/C10H13N3S/c1-7-9(4-5-11)14-10(13-7)8-3-2-6-12-8/h2-3,6,12H,4-5,11H2,1H3
InChIKeyRMUDHOYYRZCBRT-UHFFFAOYSA-N
XLogP1.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propanenitrile
CID 136988644
2-[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 136988525
2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
CID 136988683
2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 79154712
2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154491
[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
CID 136988709
2-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 82801601
2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine
CID 79154274
2-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 79153259
2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 79153257
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine (CID 136988524) is 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2ccc[nH]2)sc1CCN.
What is the InChIKey of 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RMUDHOYYRZCBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-9(4-5-11)14-10(13-7)8-3-2-6-12-8/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine?
2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 136988524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).