3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide

C7H9F3N4OS — CID 103380133

IUPAC3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1NCCC(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c8-7(9,10)1-2-13-6-3(5(12)15)4(11)14-16-6/h13H,1-2H2,(H2,11,14)(H2,12,15)
InChIKeyVBTVSMFQENHFNJ-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.19
Rot. Bonds4

About 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide

3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103380133) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
PubChem CID103380133
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1NCCC(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c8-7(9,10)1-2-13-6-3(5(12)15)4(11)14-16-6/h13H,1-2H2,(H2,11,14)(H2,12,15)
InChIKeyVBTVSMFQENHFNJ-UHFFFAOYSA-N
XLogP1.19
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide (CID 103380133) is 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide is NC(=O)c1c(N)nsc1NCCC(F)(F)F.
What is the InChIKey of 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is VBTVSMFQENHFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c8-7(9,10)1-2-13-6-3(5(12)15)4(11)14-16-6/h13H,1-2H2,(H2,11,14)(H2,12,15).
What are the key properties of 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide?
3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).