[(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium

C9H15N2OS+ — CID 7175915

IUPAC[(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium
SMILESc1csc(C[NH2+]C[C@@H]2CCCO2)n1
InChIInChI=1S/C9H14N2OS/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9/h3,5,8,10H,1-2,4,6-7H2/p+1/t8-/m0/s1
InChIKeyBJQDUWDHDLFWMO-QMMMGPOBSA-O
MW199.30 g/mol
LogP0.39
Rot. Bonds4

About [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium

[(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium (PubChem CID 7175915) has the molecular formula C9H15N2OS+ and a molecular weight of 199.30 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium
PubChem CID7175915
Molecular FormulaC9H15N2OS+
Molecular Weight199.30 g/mol
Exact Mass199.09
IUPAC Name[(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium
SMILESc1csc(C[NH2+]C[C@@H]2CCCO2)n1
InChIInChI=1S/C9H14N2OS/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9/h3,5,8,10H,1-2,4,6-7H2/p+1/t8-/m0/s1
InChIKeyBJQDUWDHDLFWMO-QMMMGPOBSA-O
XLogP0.39
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium?
The IUPAC name of [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium (CID 7175915) is [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium is c1csc(C[NH2+]C[C@@H]2CCCO2)n1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium?
The InChIKey is BJQDUWDHDLFWMO-QMMMGPOBSA-O. The full InChI is InChI=1S/C9H14N2OS/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9/h3,5,8,10H,1-2,4,6-7H2/p+1/t8-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium?
[(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium has a molecular weight of 199.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium is sourced from PubChem (CID 7175915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).