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

C15H14F2N6OS — CID 58465073

IUPAC5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1
InChIInChI=1S/C15H14F2N6OS/c16-9-2-1-3-10(17)11(9)15-22-12(13(19)25-15)14(24)21-8-6-20-23(7-8)5-4-18/h1-3,6-7H,4-5,18-19H2,(H,21,24)
InChIKeyXYCVUSONUBYVCW-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.08
Rot. Bonds5

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

5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 58465073) has the molecular formula C15H14F2N6OS and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID58465073
Molecular FormulaC15H14F2N6OS
Molecular Weight364.38 g/mol
Exact Mass364.09
IUPAC Name5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1
InChIInChI=1S/C15H14F2N6OS/c16-9-2-1-3-10(17)11(9)15-22-12(13(19)25-15)14(24)21-8-6-20-23(7-8)5-4-18/h1-3,6-7H,4-5,18-19H2,(H,21,24)
InChIKeyXYCVUSONUBYVCW-UHFFFAOYSA-N
XLogP2.08
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 53482900
[4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamic acid
CID 123455199
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-[5-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58465084
5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595216
5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 123742933
5-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482333
3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212408
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-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595281
5-amino-N-[5-[[(4R)-azepan-4-yl]methyl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 58464870

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 58465073) is 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is NCCn1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1.
What is the InChIKey of 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XYCVUSONUBYVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6OS/c16-9-2-1-3-10(17)11(9)15-22-12(13(19)25-15)14(24)21-8-6-20-23(7-8)5-4-18/h1-3,6-7H,4-5,18-19H2,(H,21,24).
What are the key properties of 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58465073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).