5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C18H20F2N8OS — CID 74983149

IUPAC5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CCNCC(F)(F)C1
InChIInChI=1S/C18H20F2N8OS/c1-27-17(28-7-6-22-9-18(19,20)10-28)12(8-24-27)25-15(29)13-14(21)30-16(26-13)11-4-2-3-5-23-11/h2-5,8,22H,6-7,9-10,21H2,1H3,(H,25,29)
InChIKeyPRILMORRGUIIQS-UHFFFAOYSA-N
MW434.48 g/mol
LogP1.82
Rot. Bonds4

About 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 74983149) has the molecular formula C18H20F2N8OS and a molecular weight of 434.48 g/mol. Its IUPAC name is 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID74983149
Molecular FormulaC18H20F2N8OS
Molecular Weight434.48 g/mol
Exact Mass434.14
IUPAC Name5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CCNCC(F)(F)C1
InChIInChI=1S/C18H20F2N8OS/c1-27-17(28-7-6-22-9-18(19,20)10-28)12(8-24-27)25-15(29)13-14(21)30-16(26-13)11-4-2-3-5-23-11/h2-5,8,22H,6-7,9-10,21H2,1H3,(H,25,29)
InChIKeyPRILMORRGUIIQS-UHFFFAOYSA-N
XLogP1.82
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 74983149) is 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CCNCC(F)(F)C1.
What is the InChIKey of 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PRILMORRGUIIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N8OS/c1-27-17(28-7-6-22-9-18(19,20)10-28)12(8-24-27)25-15(29)13-14(21)30-16(26-13)11-4-2-3-5-23-11/h2-5,8,22H,6-7,9-10,21H2,1H3,(H,25,29).
What are the key properties of 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(6,6-difluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74983149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).