N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide

C8H11ClN2O2S — CID 171646338

IUPACN-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cl)c(C(C)(C)O)s1
InChIInChI=1S/C8H11ClN2O2S/c1-4(12)10-7-11-6(9)5(14-7)8(2,3)13/h13H,1-3H3,(H,10,11,12)
InChIKeyHLSFLWJFWJJTRK-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.98
Rot. Bonds2

About N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide

N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 171646338) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID171646338
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC NameN-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cl)c(C(C)(C)O)s1
InChIInChI=1S/C8H11ClN2O2S/c1-4(12)10-7-11-6(9)5(14-7)8(2,3)13/h13H,1-3H3,(H,10,11,12)
InChIKeyHLSFLWJFWJJTRK-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide (CID 171646338) is N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(Cl)c(C(C)(C)O)s1.
What is the InChIKey of N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HLSFLWJFWJJTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-4(12)10-7-11-6(9)5(14-7)8(2,3)13/h13H,1-3H3,(H,10,11,12).
What are the key properties of N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 234.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 171646338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).