N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide

C8H11FN2OS — CID 126782103

IUPACN-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CF)NC(=O)c1cscn1
InChIInChI=1S/C8H11FN2OS/c1-8(2,4-9)11-7(12)6-3-13-5-10-6/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyYGSVDPZUAXXNES-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.62
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 126782103) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID126782103
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CF)NC(=O)c1cscn1
InChIInChI=1S/C8H11FN2OS/c1-8(2,4-9)11-7(12)6-3-13-5-10-6/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyYGSVDPZUAXXNES-UHFFFAOYSA-N
XLogP1.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide (CID 126782103) is N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide is CC(C)(CF)NC(=O)c1cscn1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YGSVDPZUAXXNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-8(2,4-9)11-7(12)6-3-13-5-10-6/h3,5H,4H2,1-2H3,(H,11,12).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 202.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126782103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).