N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide

C11H13F3N4O2S — CID 86869100

IUPACN-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
SMILESO=C(CC(F)(F)F)N1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C11H13F3N4O2S/c12-11(13,14)7-8(19)17-2-4-18(5-3-17)10(20)16-9-15-1-6-21-9/h1,6H,2-5,7H2,(H,15,16,20)
InChIKeyJPCFOXXFMJFLLF-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.77
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide

N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide (PubChem CID 86869100) has the molecular formula C11H13F3N4O2S and a molecular weight of 322.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
PubChem CID86869100
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC NameN-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
SMILESO=C(CC(F)(F)F)N1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C11H13F3N4O2S/c12-11(13,14)7-8(19)17-2-4-18(5-3-17)10(20)16-9-15-1-6-21-9/h1,6H,2-5,7H2,(H,15,16,20)
InChIKeyJPCFOXXFMJFLLF-UHFFFAOYSA-N
XLogP1.77
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide (CID 86869100) is N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide is O=C(CC(F)(F)F)N1CCN(C(=O)Nc2nccs2)CC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide?
The InChIKey is JPCFOXXFMJFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c12-11(13,14)7-8(19)17-2-4-18(5-3-17)10(20)16-9-15-1-6-21-9/h1,6H,2-5,7H2,(H,15,16,20).
What are the key properties of N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide?
N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 86869100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).