[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid

C7H10N2O3S — CID 151016388

IUPAC[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESCC(C)(O)c1cnc(NC(=O)O)s1
InChIInChI=1S/C7H10N2O3S/c1-7(2,12)4-3-8-5(13-4)9-6(10)11/h3,12H,1-2H3,(H,8,9)(H,10,11)
InChIKeyLXDVDBGJFGYMKT-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.46
Rot. Bonds2

About [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid

[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 151016388) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID151016388
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESCC(C)(O)c1cnc(NC(=O)O)s1
InChIInChI=1S/C7H10N2O3S/c1-7(2,12)4-3-8-5(13-4)9-6(10)11/h3,12H,1-2H3,(H,8,9)(H,10,11)
InChIKeyLXDVDBGJFGYMKT-UHFFFAOYSA-N
XLogP1.46
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid (CID 151016388) is [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid is CC(C)(O)c1cnc(NC(=O)O)s1.
What is the InChIKey of [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is LXDVDBGJFGYMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-7(2,12)4-3-8-5(13-4)9-6(10)11/h3,12H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 202.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 151016388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).