[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine

C11H13N3OS — CID 136988983

IUPAC[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine
SMILESNCC1(c2csc(-c3cc[nH]c3)n2)COC1
InChIInChI=1S/C11H13N3OS/c12-5-11(6-15-7-11)9-4-16-10(14-9)8-1-2-13-3-8/h1-4,13H,5-7,12H2
InChIKeyIXYFTVLKFRPXQT-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.36
Rot. Bonds3

About [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine

[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine (PubChem CID 136988983) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine
PubChem CID136988983
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine
SMILESNCC1(c2csc(-c3cc[nH]c3)n2)COC1
InChIInChI=1S/C11H13N3OS/c12-5-11(6-15-7-11)9-4-16-10(14-9)8-1-2-13-3-8/h1-4,13H,5-7,12H2
InChIKeyIXYFTVLKFRPXQT-UHFFFAOYSA-N
XLogP1.36
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetane-3-carbonitrile
CID 136988976
[3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine
CID 116891202
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988832
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine
CID 116870061
4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988830
3-[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]oxetane-3-carbonitrile
CID 136988714
[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966914
[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 137013301
4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 15327676

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine (CID 136988983) is [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine is NCC1(c2csc(-c3cc[nH]c3)n2)COC1.
What is the InChIKey of [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine?
The InChIKey is IXYFTVLKFRPXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-5-11(6-15-7-11)9-4-16-10(14-9)8-1-2-13-3-8/h1-4,13H,5-7,12H2.
What are the key properties of [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine?
[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine has a molecular weight of 235.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine is sourced from PubChem (CID 136988983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).