2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen

C8H13FN2OS — CID 176998842

IUPAC2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen
SMILESCC(C)NC(=O)Cc1ncc(F)s1.[H][H]
InChIInChI=1S/C8H11FN2OS.H2/c1-5(2)11-7(12)3-8-10-4-6(9)13-8;/h4-5H,3H2,1-2H3,(H,11,12);1H
InChIKeyJADRPUUAFGTDEY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.60
Rot. Bonds3

About 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen

2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen (PubChem CID 176998842) has the molecular formula C8H13FN2OS and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen
PubChem CID176998842
Molecular FormulaC8H13FN2OS
Molecular Weight204.27 g/mol
Exact Mass204.07
IUPAC Name2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen
SMILESCC(C)NC(=O)Cc1ncc(F)s1.[H][H]
InChIInChI=1S/C8H11FN2OS.H2/c1-5(2)11-7(12)3-8-10-4-6(9)13-8;/h4-5H,3H2,1-2H3,(H,11,12);1H
InChIKeyJADRPUUAFGTDEY-UHFFFAOYSA-N
XLogP1.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-fluoro-1,3-thiazol-2-yl)acetate
CID 131118432
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylacetamide
CID 60981941
2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
CID 171049213
2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide
CID 171049245
N-propan-2-yl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342044
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 107124162
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
CID 80571719
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 79727927
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide
CID 102767648
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 60777585

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen?
The IUPAC name of 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen (CID 176998842) is 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen.
What is the SMILES notation for 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen?
The canonical SMILES for 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen is CC(C)NC(=O)Cc1ncc(F)s1.[H][H].
What is the InChIKey of 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen?
The InChIKey is JADRPUUAFGTDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS.H2/c1-5(2)11-7(12)3-8-10-4-6(9)13-8;/h4-5H,3H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen?
2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen has a molecular weight of 204.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen is sourced from PubChem (CID 176998842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).