[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate

C10H16N2O3S — CID 175557539

IUPAC[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate
SMILESCC(C)OC(C)(C)c1csc(OC(N)=O)n1
InChIInChI=1S/C10H16N2O3S/c1-6(2)15-10(3,4)7-5-16-9(12-7)14-8(11)13/h5-6H,1-4H3,(H2,11,13)
InChIKeyXFTHXJPQYKRANN-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.26
Rot. Bonds4

About [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate

[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate (PubChem CID 175557539) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate.

Molecular Properties

Compound Name[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate
PubChem CID175557539
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate
SMILESCC(C)OC(C)(C)c1csc(OC(N)=O)n1
InChIInChI=1S/C10H16N2O3S/c1-6(2)15-10(3,4)7-5-16-9(12-7)14-8(11)13/h5-6H,1-4H3,(H2,11,13)
InChIKeyXFTHXJPQYKRANN-UHFFFAOYSA-N
XLogP2.26
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate?
The IUPAC name of [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate (CID 175557539) is [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate.
What is the SMILES notation for [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate?
The canonical SMILES for [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate is CC(C)OC(C)(C)c1csc(OC(N)=O)n1.
What is the InChIKey of [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate?
The InChIKey is XFTHXJPQYKRANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-6(2)15-10(3,4)7-5-16-9(12-7)14-8(11)13/h5-6H,1-4H3,(H2,11,13).
What are the key properties of [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate?
[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate has a molecular weight of 244.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate is sourced from PubChem (CID 175557539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).