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

C12H13FN4OS — CID 19768511

IUPAC2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1nc(N)sc1-c1cccc(F)c1
InChIInChI=1S/C12H13FN4OS/c13-8-3-1-2-7(6-8)10-9(17-12(15)19-10)11(18)16-5-4-14/h1-3,6H,4-5,14H2,(H2,15,17)(H,16,18)
InChIKeyYDSGGFQIAREYFE-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.22
Rot. Bonds4

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

2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 19768511) has the molecular formula C12H13FN4OS and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID19768511
Molecular FormulaC12H13FN4OS
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC Name2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1nc(N)sc1-c1cccc(F)c1
InChIInChI=1S/C12H13FN4OS/c13-8-3-1-2-7(6-8)10-9(17-12(15)19-10)11(18)16-5-4-14/h1-3,6H,4-5,14H2,(H2,15,17)(H,16,18)
InChIKeyYDSGGFQIAREYFE-UHFFFAOYSA-N
XLogP1.22
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 19768511) is 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide is NCCNC(=O)c1nc(N)sc1-c1cccc(F)c1.
What is the InChIKey of 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YDSGGFQIAREYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS/c13-8-3-1-2-7(6-8)10-9(17-12(15)19-10)11(18)16-5-4-14/h1-3,6H,4-5,14H2,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 19768511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).