N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide

C12H12FN3OS — CID 5086

IUPACN-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1ncsc1-c1cccc(F)c1
InChIInChI=1S/C12H12FN3OS/c13-9-3-1-2-8(6-9)11-10(16-7-18-11)12(17)15-5-4-14/h1-3,6-7H,4-5,14H2,(H,15,17)
InChIKeySCKBPXUWGMKLDM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.64
Rot. Bonds4

About N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide

N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 5086) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID5086
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1ncsc1-c1cccc(F)c1
InChIInChI=1S/C12H12FN3OS/c13-9-3-1-2-8(6-9)11-10(16-7-18-11)12(17)15-5-4-14/h1-3,6-7H,4-5,14H2,(H,15,17)
InChIKeySCKBPXUWGMKLDM-UHFFFAOYSA-N
XLogP1.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 5086) is N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide is NCCNC(=O)c1ncsc1-c1cccc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SCKBPXUWGMKLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-9-3-1-2-8(6-9)11-10(16-7-18-11)12(17)15-5-4-14/h1-3,6-7H,4-5,14H2,(H,15,17).
What are the key properties of N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).