(3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

C13H20N2OS2 — CID 97098289

IUPAC(3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESc1csc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)n1
InChIInChI=1S/C13H20N2OS2/c1-2-12(16-5-1)8-15(11-3-6-17-10-11)9-13-14-4-7-18-13/h4,7,11-12H,1-3,5-6,8-10H2/t11-,12-/m1/s1
InChIKeyDKRIXOQKGBHLAU-VXGBXAGGSA-N
MW284.45 g/mol
LogP2.63
Rot. Bonds5

About (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

(3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (PubChem CID 97098289) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
PubChem CID97098289
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name(3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESc1csc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)n1
InChIInChI=1S/C13H20N2OS2/c1-2-12(16-5-1)8-15(11-3-6-17-10-11)9-13-14-4-7-18-13/h4,7,11-12H,1-3,5-6,8-10H2/t11-,12-/m1/s1
InChIKeyDKRIXOQKGBHLAU-VXGBXAGGSA-N
XLogP2.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine with MolForge

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Related Compounds

(3R,3aR,6aS)-3-(cyclopropylmethoxy)-1-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97362602
(2R,3aS,6aS)-2-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369160
N,N-dimethyl-2-(1,3-thiazol-2-yloxy)cyclopentan-1-amine
CID 126953997
(Tetrahydro-furan-2-ylmethyl)-thiazol-2-ylmethyl-amine
CID 4777618
2-[(1-Methylpyrrolidin-2-yl)methoxy]-1,3-thiazole
CID 21851890
2-(1-methyl-2-(S)-pyrrolidinylmethoxy)-thiazole
CID 54271048
2-(Oxolan-2-yl)-1,3-thiazole
CID 67260446
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride
CID 70083466
[(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium
CID 7175915
1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 7175916
[(2R)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium
CID 7175917
1-[(2R)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 7175918

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The IUPAC name of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (CID 97098289) is (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is c1csc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)n1.
What is the InChIKey of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The InChIKey is DKRIXOQKGBHLAU-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-2-12(16-5-1)8-15(11-3-6-17-10-11)9-13-14-4-7-18-13/h4,7,11-12H,1-3,5-6,8-10H2/t11-,12-/m1/s1.
What are the key properties of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine has a molecular weight of 284.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 97098289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).