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

C10H13N3OS — CID 136988683

IUPAC2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc[nH]2)sc1C(N)CO
InChIInChI=1S/C10H13N3OS/c1-6-9(7(11)5-14)15-10(13-6)8-3-2-4-12-8/h2-4,7,12,14H,5,11H2,1H3
InChIKeyICECKTMYRFKQGZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.44
Rot. Bonds3

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

2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 136988683) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID136988683
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc[nH]2)sc1C(N)CO
InChIInChI=1S/C10H13N3OS/c1-6-9(7(11)5-14)15-10(13-6)8-3-2-4-12-8/h2-4,7,12,14H,5,11H2,1H3
InChIKeyICECKTMYRFKQGZ-UHFFFAOYSA-N
XLogP1.44
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol (CID 136988683) is 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2ccc[nH]2)sc1C(N)CO.
What is the InChIKey of 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is ICECKTMYRFKQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6-9(7(11)5-14)15-10(13-6)8-3-2-4-12-8/h2-4,7,12,14H,5,11H2,1H3.
What are the key properties of 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol?
2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 223.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 136988683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).