(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine

C9H14N2OS — CID 130933670

IUPAC(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCc1cncs1
InChIInChI=1S/C9H14N2OS/c1-7-9(2-3-12-7)11-5-8-4-10-6-13-8/h4,6-7,9,11H,2-3,5H2,1H3/t7-,9-/m1/s1
InChIKeyTWTGNKBRJOYNCE-VXNVDRBHSA-N
MW198.29 g/mol
LogP1.41
Rot. Bonds3

About (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine

(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine (PubChem CID 130933670) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
PubChem CID130933670
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCc1cncs1
InChIInChI=1S/C9H14N2OS/c1-7-9(2-3-12-7)11-5-8-4-10-6-13-8/h4,6-7,9,11H,2-3,5H2,1H3/t7-,9-/m1/s1
InChIKeyTWTGNKBRJOYNCE-VXNVDRBHSA-N
XLogP1.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
CID 82726357
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732727
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 71644176
2-methoxy-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732649
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
2,2,3-trimethyl-4-(1,3-thiazol-5-ylmethylamino)cyclohexane-1-carboxylic acid
CID 102630756
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine (CID 130933670) is (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine is C[C@H]1OCC[C@H]1NCc1cncs1.
What is the InChIKey of (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine?
The InChIKey is TWTGNKBRJOYNCE-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-9(2-3-12-7)11-5-8-4-10-6-13-8/h4,6-7,9,11H,2-3,5H2,1H3/t7-,9-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine?
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine has a molecular weight of 198.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 130933670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).