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

C19H19F2N5O3S — CID 71261535

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
SMILESCC(O)CCCOc1ncncc1NC(=O)c1nc(-c2c(F)cccc2F)sc1N
InChIInChI=1S/C19H19F2N5O3S/c1-10(27)4-3-7-29-18-13(8-23-9-24-18)25-17(28)15-16(22)30-19(26-15)14-11(20)5-2-6-12(14)21/h2,5-6,8-10,27H,3-4,7,22H2,1H3,(H,25,28)
InChIKeyKUIZTHGRVNKVDJ-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.25
Rot. Bonds8

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

5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71261535) has the molecular formula C19H19F2N5O3S and a molecular weight of 435.46 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID71261535
Molecular FormulaC19H19F2N5O3S
Molecular Weight435.46 g/mol
Exact Mass435.12
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
SMILESCC(O)CCCOc1ncncc1NC(=O)c1nc(-c2c(F)cccc2F)sc1N
InChIInChI=1S/C19H19F2N5O3S/c1-10(27)4-3-7-29-18-13(8-23-9-24-18)25-17(28)15-16(22)30-19(26-15)14-11(20)5-2-6-12(14)21/h2,5-6,8-10,27H,3-4,7,22H2,1H3,(H,25,28)
InChIKeyKUIZTHGRVNKVDJ-UHFFFAOYSA-N
XLogP3.25
TPSA123.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane
CID 145420311
5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 53482900
5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 123377087
2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261802
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[4-(methylamino)butoxy]pyrimidin-5-yl]pyridine-2-carboxamide
CID 118416958
6-(2,6-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]pyrimidin-5-yl]-5-fluoropyridine-2-carboxamide
CID 118416976
5-amino-2-(2,6-difluorophenyl)-N-[5-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58465084
5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 58465073
5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123786027
5-amino-2-(2,6-difluorophenyl)-N-[5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67437258
5-amino-2-(2,6-difluorophenyl)-N-[5-[(3S)-3-fluoropyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464735
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide (CID 71261535) is 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide is CC(O)CCCOc1ncncc1NC(=O)c1nc(-c2c(F)cccc2F)sc1N.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KUIZTHGRVNKVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3S/c1-10(27)4-3-7-29-18-13(8-23-9-24-18)25-17(28)15-16(22)30-19(26-15)14-11(20)5-2-6-12(14)21/h2,5-6,8-10,27H,3-4,7,22H2,1H3,(H,25,28).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71261535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).