2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide

C10H13F3N4OS — CID 165412211

IUPAC2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1cnc(N2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)6-2-1-3-17(5-6)9-15-4-7(19-9)8(18)16-14/h4,6H,1-3,5,14H2,(H,16,18)
InChIKeyVYHWFGNMPPWKJO-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.53
Rot. Bonds2

About 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide

2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide (PubChem CID 165412211) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide
PubChem CID165412211
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1cnc(N2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)6-2-1-3-17(5-6)9-15-4-7(19-9)8(18)16-14/h4,6H,1-3,5,14H2,(H,16,18)
InChIKeyVYHWFGNMPPWKJO-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide (CID 165412211) is 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide is NNC(=O)c1cnc(N2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is VYHWFGNMPPWKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)6-2-1-3-17(5-6)9-15-4-7(19-9)8(18)16-14/h4,6H,1-3,5,14H2,(H,16,18).
What are the key properties of 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide?
2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 294.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 165412211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).