5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C17H15F2N5OS — CID 58464820

IUPAC5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CCC2)c1
InChIInChI=1S/C17H15F2N5OS/c18-11-5-2-6-12(19)13(11)17-23-14(15(20)26-17)16(25)22-9-7-21-24(8-9)10-3-1-4-10/h2,5-8,10H,1,3-4,20H2,(H,22,25)
InChIKeyOLVAFTYFLMBCJO-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.84
Rot. Bonds4

About 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 58464820) has the molecular formula C17H15F2N5OS and a molecular weight of 375.40 g/mol. Its IUPAC name is 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID58464820
Molecular FormulaC17H15F2N5OS
Molecular Weight375.40 g/mol
Exact Mass375.10
IUPAC Name5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CCC2)c1
InChIInChI=1S/C17H15F2N5OS/c18-11-5-2-6-12(19)13(11)17-23-14(15(20)26-17)16(25)22-9-7-21-24(8-9)10-3-1-4-10/h2,5-8,10H,1,3-4,20H2,(H,22,25)
InChIKeyOLVAFTYFLMBCJO-UHFFFAOYSA-N
XLogP3.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 53482901
5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 53482900
5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 58465073
5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-cyclopropylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86680113
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-[5-(5-amino-3-fluoroazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123691125
5-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482333
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482603
5-amino-2-(2,6-difluorophenyl)-N-[5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67437258
5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 151577657
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-[5-[(3R)-3-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482781

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 58464820) is 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CCC2)c1.
What is the InChIKey of 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OLVAFTYFLMBCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5OS/c18-11-5-2-6-12(19)13(11)17-23-14(15(20)26-17)16(25)22-9-7-21-24(8-9)10-3-1-4-10/h2,5-8,10H,1,3-4,20H2,(H,22,25).
What are the key properties of 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclobutylpyrazol-4-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).