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

C15H15FN4O2S — CID 87550475

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)CN(C(=O)c1nc(N)sc1-c1cccc(F)c1)C1CC1
InChIInChI=1S/C15H15FN4O2S/c16-9-3-1-2-8(6-9)13-12(19-15(18)23-13)14(22)20(7-11(17)21)10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,17,21)(H2,18,19)
InChIKeyCQXQXDPZMYCPFE-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.62
Rot. Bonds5

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

2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 87550475) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID87550475
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)CN(C(=O)c1nc(N)sc1-c1cccc(F)c1)C1CC1
InChIInChI=1S/C15H15FN4O2S/c16-9-3-1-2-8(6-9)13-12(19-15(18)23-13)14(22)20(7-11(17)21)10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,17,21)(H2,18,19)
InChIKeyCQXQXDPZMYCPFE-UHFFFAOYSA-N
XLogP1.62
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 87550475) is 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)CN(C(=O)c1nc(N)sc1-c1cccc(F)c1)C1CC1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CQXQXDPZMYCPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c16-9-3-1-2-8(6-9)13-12(19-15(18)23-13)14(22)20(7-11(17)21)10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,17,21)(H2,18,19).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-cyclopropyl-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87550475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).