4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine

C11H18N2OS — CID 816869

IUPAC4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine
SMILESCCC[C@@H]1C[C@@H](c2csc(N)n2)CCO1
InChIInChI=1S/C11H18N2OS/c1-2-3-9-6-8(4-5-14-9)10-7-15-11(12)13-10/h7-9H,2-6H2,1H3,(H2,12,13)/t8-,9+/m0/s1
InChIKeySIINGJBLYGBGDL-DTWKUNHWSA-N
MW226.34 g/mol
LogP2.79
Rot. Bonds3

About 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine

4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine (PubChem CID 816869) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine
PubChem CID816869
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine
SMILESCCC[C@@H]1C[C@@H](c2csc(N)n2)CCO1
InChIInChI=1S/C11H18N2OS/c1-2-3-9-6-8(4-5-14-9)10-7-15-11(12)13-10/h7-9H,2-6H2,1H3,(H2,12,13)/t8-,9+/m0/s1
InChIKeySIINGJBLYGBGDL-DTWKUNHWSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine (CID 816869) is 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine is CCC[C@@H]1C[C@@H](c2csc(N)n2)CCO1.
What is the InChIKey of 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine?
The InChIKey is SIINGJBLYGBGDL-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-3-9-6-8(4-5-14-9)10-7-15-11(12)13-10/h7-9H,2-6H2,1H3,(H2,12,13)/t8-,9+/m0/s1.
What are the key properties of 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine?
4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 816869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).