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

C19H20F2N6O2S — CID 73437982

IUPAC5-amino-N-[5-[(2R,5R)-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-/m1/s1
InChIKeyUOSZAFGQFIRDHS-NOZJJQNGSA-N
MW434.47 g/mol
LogP2.84
Rot. Bonds5

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

5-amino-N-[5-[(2R,5R)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 73437982) has the molecular formula C19H20F2N6O2S and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-amino-N-[5-[(2R,5R)-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-[(2R,5R)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID73437982
Molecular FormulaC19H20F2N6O2S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC Name5-amino-N-[5-[(2R,5R)-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-/m1/s1
InChIKeyUOSZAFGQFIRDHS-NOZJJQNGSA-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-[(2R,5R)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

CID 86713879
CID 86713879
CID 90072314
CID 90072314
CID 90072384
CID 90072384
CID 90072542
CID 90072542
CID 90073003
CID 90073003
CID 73437695
CID 73437695
CID 73437696
CID 73437696
CID 73437700
CID 73437700
CID 73437701
CID 73437701
CID 73437703
CID 73437703
CID 73437808
CID 73437808
CID 73437810
CID 73437810

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[(2R,5R)-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-[(2R,5R)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 73437982) is 5-amino-N-[5-[(2R,5R)-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-[(2R,5R)-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-[(2R,5R)-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-[(2R,5R)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UOSZAFGQFIRDHS-NOZJJQNGSA-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-/m1/s1.
What are the key properties of 5-amino-N-[5-[(2R,5R)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[(2R,5R)-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-[(2R,5R)-5-(aminomethyl)oxolan-2-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 73437982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).