propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate

C10H17NO2S — CID 101212862

IUPACpropan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCC(C)OC(=O)C1=NC(C(C)C)SC1
InChIInChI=1S/C10H17NO2S/c1-6(2)9-11-8(5-14-9)10(12)13-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyFNFORWKFHFTYCC-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.11
Rot. Bonds3

About propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate

propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 101212862) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID101212862
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Namepropan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCC(C)OC(=O)C1=NC(C(C)C)SC1
InChIInChI=1S/C10H17NO2S/c1-6(2)9-11-8(5-14-9)10(12)13-7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyFNFORWKFHFTYCC-UHFFFAOYSA-N
XLogP2.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate (CID 101212862) is propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate is CC(C)OC(=O)C1=NC(C(C)C)SC1.
What is the InChIKey of propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is FNFORWKFHFTYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-6(2)9-11-8(5-14-9)10(12)13-7(3)4/h6-7,9H,5H2,1-4H3.
What are the key properties of propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate?
propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 215.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-propan-2-yl-2,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 101212862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).