N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide

C8H11FN2OS — CID 130622075

IUPACN-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC(C)CF
InChIInChI=1S/C8H11FN2OS/c1-5(3-9)10-8(12)7-4-13-11-6(7)2/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyGLWSRNCMKBFNHK-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.54
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide

N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 130622075) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID130622075
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC NameN-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC(C)CF
InChIInChI=1S/C8H11FN2OS/c1-5(3-9)10-8(12)7-4-13-11-6(7)2/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyGLWSRNCMKBFNHK-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide (CID 130622075) is N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NC(C)CF.
What is the InChIKey of N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is GLWSRNCMKBFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-5(3-9)10-8(12)7-4-13-11-6(7)2/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide?
N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 202.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 130622075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).