(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine

C12H20N2OS — CID 125438175

IUPAC(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
SMILESCc1nc(C(C)C)sc1CN[C@H]1CCOC1
InChIInChI=1S/C12H20N2OS/c1-8(2)12-14-9(3)11(16-12)6-13-10-4-5-15-7-10/h8,10,13H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyHOPYSFZLWVPYGH-JTQLQIEISA-N
MW240.37 g/mol
LogP2.45
Rot. Bonds4

About (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine

(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine (PubChem CID 125438175) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
PubChem CID125438175
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
SMILESCc1nc(C(C)C)sc1CN[C@H]1CCOC1
InChIInChI=1S/C12H20N2OS/c1-8(2)12-14-9(3)11(16-12)6-13-10-4-5-15-7-10/h8,10,13H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyHOPYSFZLWVPYGH-JTQLQIEISA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine (CID 125438175) is (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine is Cc1nc(C(C)C)sc1CN[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The InChIKey is HOPYSFZLWVPYGH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)12-14-9(3)11(16-12)6-13-10-4-5-15-7-10/h8,10,13H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine has a molecular weight of 240.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 125438175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).