2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide

C8H11F2N3O2S — CID 107479329

IUPAC2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N(CCO)CC(F)F)cs1
InChIInChI=1S/C8H11F2N3O2S/c9-6(10)3-13(1-2-14)7(15)5-4-16-8(11)12-5/h4,6,14H,1-3H2,(H2,11,12)
InChIKeyYQPWVRFAVGKHIG-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.42
Rot. Bonds5

About 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide

2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 107479329) has the molecular formula C8H11F2N3O2S and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID107479329
Molecular FormulaC8H11F2N3O2S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N(CCO)CC(F)F)cs1
InChIInChI=1S/C8H11F2N3O2S/c9-6(10)3-13(1-2-14)7(15)5-4-16-8(11)12-5/h4,6,14H,1-3H2,(H2,11,12)
InChIKeyYQPWVRFAVGKHIG-UHFFFAOYSA-N
XLogP0.42
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (CID 107479329) is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)N(CCO)CC(F)F)cs1.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YQPWVRFAVGKHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2S/c9-6(10)3-13(1-2-14)7(15)5-4-16-8(11)12-5/h4,6,14H,1-3H2,(H2,11,12).
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107479329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).