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

C8H12N2OS — CID 103874822

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
SMILESCc1cnc(CNC2COC2)s1
InChIInChI=1S/C8H12N2OS/c1-6-2-10-8(12-6)3-9-7-4-11-5-7/h2,7,9H,3-5H2,1H3
InChIKeyUJDXHLQNALXLED-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.94
Rot. Bonds3

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine (PubChem CID 103874822) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
PubChem CID103874822
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
SMILESCc1cnc(CNC2COC2)s1
InChIInChI=1S/C8H12N2OS/c1-6-2-10-8(12-6)3-9-7-4-11-5-7/h2,7,9H,3-5H2,1H3
InChIKeyUJDXHLQNALXLED-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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115724500
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485
tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
CID 103948517
1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 124731701
(3R)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 126987035

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine (CID 103874822) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine is Cc1cnc(CNC2COC2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine?
The InChIKey is UJDXHLQNALXLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-2-10-8(12-6)3-9-7-4-11-5-7/h2,7,9H,3-5H2,1H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine?
N-[(5-methyl-1,3-thiazol-2-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-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 103874822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).