4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C10H14F3N5OS — CID 116669017

IUPAC4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N5OS/c11-10(12,13)4-16-8(19)6-7(15)17-9(20-6)18-2-1-5(14)3-18/h5H,1-4,14-15H2,(H,16,19)
InChIKeyQDZDMKIJMIGWKK-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.55
Rot. Bonds3

About 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116669017) has the molecular formula C10H14F3N5OS and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID116669017
Molecular FormulaC10H14F3N5OS
Molecular Weight309.32 g/mol
Exact Mass309.09
IUPAC Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N5OS/c11-10(12,13)4-16-8(19)6-7(15)17-9(20-6)18-2-1-5(14)3-18/h5H,1-4,14-15H2,(H,16,19)
InChIKeyQDZDMKIJMIGWKK-UHFFFAOYSA-N
XLogP0.55
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 116669017) is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Nc1nc(N2CCC(N)C2)sc1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QDZDMKIJMIGWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5OS/c11-10(12,13)4-16-8(19)6-7(15)17-9(20-6)18-2-1-5(14)3-18/h5H,1-4,14-15H2,(H,16,19).
What are the key properties of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).