5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C19H20F2N6O2S — CID 73437981

IUPAC5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@@H](CN)O1
InChIInChI=1S/C19H20F2N6O2S/c1-27-16(13-6-5-9(7-22)29-13)12(8-24-27)25-18(28)15-17(23)30-19(26-15)14-10(20)3-2-4-11(14)21/h2-4,8-9,13H,5-7,22-23H2,1H3,(H,25,28)/t9-,13-/m0/s1
InChIKeyUOSZAFGQFIRDHS-ZANVPECISA-N
MW434.47 g/mol
LogP2.84
Rot. Bonds5

About 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 73437981) has the molecular formula C19H20F2N6O2S and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID73437981
Molecular FormulaC19H20F2N6O2S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC Name5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@@H](CN)O1
InChIInChI=1S/C19H20F2N6O2S/c1-27-16(13-6-5-9(7-22)29-13)12(8-24-27)25-18(28)15-17(23)30-19(26-15)14-10(20)3-2-4-11(14)21/h2-4,8-9,13H,5-7,22-23H2,1H3,(H,25,28)/t9-,13-/m0/s1
InChIKeyUOSZAFGQFIRDHS-ZANVPECISA-N
XLogP2.84
TPSA121.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 73437981) is 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@@H](CN)O1.
What is the InChIKey of 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UOSZAFGQFIRDHS-ZANVPECISA-N. The full InChI is InChI=1S/C19H20F2N6O2S/c1-27-16(13-6-5-9(7-22)29-13)12(8-24-27)25-18(28)15-17(23)30-19(26-15)14-10(20)3-2-4-11(14)21/h2-4,8-9,13H,5-7,22-23H2,1H3,(H,25,28)/t9-,13-/m0/s1.
What are the key properties of 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-[(2S,5S)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 73437981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).