2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole

C12H19NOS — CID 793375

IUPAC2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole
SMILESCCC[C@H]1C[C@H](c2csc(C)n2)CCO1
InChIInChI=1S/C12H19NOS/c1-3-4-11-7-10(5-6-14-11)12-8-15-9(2)13-12/h8,10-11H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyFNRAFLQGZOWCQJ-MNOVXSKESA-N
MW225.36 g/mol
LogP3.51
Rot. Bonds3

About 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole

2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole (PubChem CID 793375) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole
PubChem CID793375
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole
SMILESCCC[C@H]1C[C@H](c2csc(C)n2)CCO1
InChIInChI=1S/C12H19NOS/c1-3-4-11-7-10(5-6-14-11)12-8-15-9(2)13-12/h8,10-11H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyFNRAFLQGZOWCQJ-MNOVXSKESA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Propyl-tetrahydro-pyran-4-yl)-thiazol-2-ylamine
CID 581496
2-Thiazolamine, 4-[tetrahydro-2-(1-methylethyl)-2H-pyran-4-yl]-
CID 649965
Thiazole, 2-methyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CID 2861810
Thiazole, 4-(2-ethyltetrahydro-2-methyl-2H-pyran-4-yl)-2-methyl-
CID 2861819
2-Methyl-4-(2-propyloxan-4-yl)-1,3-thiazole
CID 2861834
4-Ethyl-2-(oxan-4-yl)-1,3-thiazole
CID 104469280
4-Cyclobutyl-2-(oxan-4-yl)-1,3-thiazole
CID 128382196
2-(Cyclopropylmethyl)-4-(oxan-4-yl)-1,3-thiazole
CID 132284276
2-methyl-4-[(2S,4S)-2-propyloxan-4-yl]-1,3-thiazole
CID 793373
2-methyl-4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazole
CID 793374
2-methyl-4-[(2R,4R)-2-propyloxan-4-yl]-1,3-thiazole
CID 793378
4-[(2S,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine
CID 816866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole (CID 793375) is 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole is CCC[C@H]1C[C@H](c2csc(C)n2)CCO1.
What is the InChIKey of 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole?
The InChIKey is FNRAFLQGZOWCQJ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-4-11-7-10(5-6-14-11)12-8-15-9(2)13-12/h8,10-11H,3-7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole?
2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S,4R)-2-propyloxan-4-yl]-1,3-thiazole is sourced from PubChem (CID 793375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).