N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide

C7H9FN2OS — CID 88882440

IUPACN-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCF)s1
InChIInChI=1S/C7H9FN2OS/c1-5-4-10-7(12-5)6(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyLSZFOMPIPDAVQP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.15
Rot. Bonds3

About N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide

N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 88882440) has the molecular formula C7H9FN2OS and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID88882440
Molecular FormulaC7H9FN2OS
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC NameN-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCF)s1
InChIInChI=1S/C7H9FN2OS/c1-5-4-10-7(12-5)6(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyLSZFOMPIPDAVQP-UHFFFAOYSA-N
XLogP1.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide (CID 88882440) is N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NCCF)s1.
What is the InChIKey of N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is LSZFOMPIPDAVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2OS/c1-5-4-10-7(12-5)6(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11).
What are the key properties of N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide?
N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 88882440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).