N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine

C8H12N2OS — CID 63622731

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
SMILESCc1ncc(CNC2COC2)s1
InChIInChI=1S/C8H12N2OS/c1-6-9-2-8(12-6)3-10-7-4-11-5-7/h2,7,10H,3-5H2,1H3
InChIKeyAIISZRAJVOFHJE-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.94
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine (PubChem CID 63622731) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
PubChem CID63622731
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
SMILESCc1ncc(CNC2COC2)s1
InChIInChI=1S/C8H12N2OS/c1-6-9-2-8(12-6)3-10-7-4-11-5-7/h2,7,10H,3-5H2,1H3
InChIKeyAIISZRAJVOFHJE-UHFFFAOYSA-N
XLogP0.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 115656347
5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
CID 63378448
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
3-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
CID 61282176
2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 79927526

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine (CID 63622731) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine is Cc1ncc(CNC2COC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine?
The InChIKey is AIISZRAJVOFHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-9-2-8(12-6)3-10-7-4-11-5-7/h2,7,10H,3-5H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine has a molecular weight of 184.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 63622731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).