3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

C9H14F2N4OS — CID 103383675

IUPAC3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC(F)F
InChIInChI=1S/C9H14F2N4OS/c1-4(2)14-8(16)6-7(12)15-17-9(6)13-3-5(10)11/h4-5,13H,3H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyIYWFZJCGGSREDQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103383675) has the molecular formula C9H14F2N4OS and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103383675
Molecular FormulaC9H14F2N4OS
Molecular Weight264.30 g/mol
Exact Mass264.09
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC(F)F
InChIInChI=1S/C9H14F2N4OS/c1-4(2)14-8(16)6-7(12)15-17-9(6)13-3-5(10)11/h4-5,13H,3H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyIYWFZJCGGSREDQ-UHFFFAOYSA-N
XLogP1.54
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103383675) is 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCC(F)F.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is IYWFZJCGGSREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4OS/c1-4(2)14-8(16)6-7(12)15-17-9(6)13-3-5(10)11/h4-5,13H,3H2,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).