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

C8H12N2OS — CID 116891202

IUPAC[3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine
SMILESCc1nc(C2(CN)COC2)cs1
InChIInChI=1S/C8H12N2OS/c1-6-10-7(2-12-6)8(3-9)4-11-5-8/h2H,3-5,9H2,1H3
InChIKeyKVLCDKDZAUBCCK-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.68
Rot. Bonds2

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

[3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine (PubChem CID 116891202) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine
PubChem CID116891202
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name[3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine
SMILESCc1nc(C2(CN)COC2)cs1
InChIInChI=1S/C8H12N2OS/c1-6-10-7(2-12-6)8(3-9)4-11-5-8/h2H,3-5,9H2,1H3
InChIKeyKVLCDKDZAUBCCK-UHFFFAOYSA-N
XLogP0.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
CID 82601461
[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine
CID 136988983
2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
CID 90291718
1-(2-methyl-1,3-thiazol-4-yl)cyclopropan-1-ol
CID 65198382
[3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine
CID 82416863
[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine
CID 116829631
[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine
CID 116890896
2-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclopropan-1-ol
CID 79333255
ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate
CID 58654222
1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116603189
(3-pyridin-4-yloxetan-3-yl)methanamine
CID 83480468
1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
CID 116890940

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine (CID 116891202) is [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine is Cc1nc(C2(CN)COC2)cs1.
What is the InChIKey of [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine?
The InChIKey is KVLCDKDZAUBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-10-7(2-12-6)8(3-9)4-11-5-8/h2H,3-5,9H2,1H3.
What are the key properties of [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine?
[3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine has a molecular weight of 184.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116891202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).