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

C19H21F2N7OS — CID 53482785

IUPAC5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCNCC1
InChIInChI=1S/C19H21F2N7OS/c1-27-19(28-8-3-6-23-7-9-28)13(10-24-27)25-17(29)15-16(22)30-18(26-15)14-11(20)4-2-5-12(14)21/h2,4-5,10,23H,3,6-9,22H2,1H3,(H,25,29)
InChIKeyGOHDRFMFMTWCFA-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.46
Rot. Bonds4

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

5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 53482785) has the molecular formula C19H21F2N7OS and a molecular weight of 433.49 g/mol. Its IUPAC name is 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID53482785
Molecular FormulaC19H21F2N7OS
Molecular Weight433.49 g/mol
Exact Mass433.15
IUPAC Name5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCNCC1
InChIInChI=1S/C19H21F2N7OS/c1-27-19(28-8-3-6-23-7-9-28)13(10-24-27)25-17(29)15-16(22)30-18(26-15)14-11(20)4-2-5-12(14)21/h2,4-5,10,23H,3,6-9,22H2,1H3,(H,25,29)
InChIKeyGOHDRFMFMTWCFA-UHFFFAOYSA-N
XLogP2.46
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 53482785) is 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCCNCC1.
What is the InChIKey of 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GOHDRFMFMTWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7OS/c1-27-19(28-8-3-6-23-7-9-28)13(10-24-27)25-17(29)15-16(22)30-18(26-15)14-11(20)4-2-5-12(14)21/h2,4-5,10,23H,3,6-9,22H2,1H3,(H,25,29).
What are the key properties of 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53482785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).