N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

C14H15F2N3O2S — CID 129091206

IUPACN-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)Nc2cc(C(C)(F)F)c(O)cn2)s1
InChIInChI=1S/C14H15F2N3O2S/c1-7(2)13-18-6-10(22-13)12(21)19-11-4-8(14(3,15)16)9(20)5-17-11/h4-7,20H,1-3H3,(H,17,19,21)
InChIKeyMSIXRYKTQSFNEY-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.73
Rot. Bonds4

About N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 129091206) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID129091206
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)Nc2cc(C(C)(F)F)c(O)cn2)s1
InChIInChI=1S/C14H15F2N3O2S/c1-7(2)13-18-6-10(22-13)12(21)19-11-4-8(14(3,15)16)9(20)5-17-11/h4-7,20H,1-3H3,(H,17,19,21)
InChIKeyMSIXRYKTQSFNEY-UHFFFAOYSA-N
XLogP3.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 129091206) is N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is CC(C)c1ncc(C(=O)Nc2cc(C(C)(F)F)c(O)cn2)s1.
What is the InChIKey of N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MSIXRYKTQSFNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-7(2)13-18-6-10(22-13)12(21)19-11-4-8(14(3,15)16)9(20)5-17-11/h4-7,20H,1-3H3,(H,17,19,21).
What are the key properties of N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethyl)-5-hydroxy-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129091206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).