2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C14H14F3N5O3S — CID 162539503

IUPAC2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(NC1CCN(c2ncc(C(=O)O)s2)CC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H14F3N5O3S/c15-14(16,17)10-5-8(20-21-10)11(23)19-7-1-3-22(4-2-7)13-18-6-9(26-13)12(24)25/h5-7H,1-4H2,(H,19,23)(H,20,21)(H,24,25)
InChIKeyYYQBVXOLQRGKTQ-UHFFFAOYSA-N
MW389.36 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 162539503) has the molecular formula C14H14F3N5O3S and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID162539503
Molecular FormulaC14H14F3N5O3S
Molecular Weight389.36 g/mol
Exact Mass389.08
IUPAC Name2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(NC1CCN(c2ncc(C(=O)O)s2)CC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H14F3N5O3S/c15-14(16,17)10-5-8(20-21-10)11(23)19-7-1-3-22(4-2-7)13-18-6-9(26-13)12(24)25/h5-7H,1-4H2,(H,19,23)(H,20,21)(H,24,25)
InChIKeyYYQBVXOLQRGKTQ-UHFFFAOYSA-N
XLogP1.98
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 162539503) is 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is O=C(NC1CCN(c2ncc(C(=O)O)s2)CC1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YYQBVXOLQRGKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3S/c15-14(16,17)10-5-8(20-21-10)11(23)19-7-1-3-22(4-2-7)13-18-6-9(26-13)12(24)25/h5-7H,1-4H2,(H,19,23)(H,20,21)(H,24,25).
What are the key properties of 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 389.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 162539503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).