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

C17H16F2N6OS — CID 53482901

IUPAC5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CCNC2)c1
InChIInChI=1S/C17H16F2N6OS/c18-11-2-1-3-12(19)13(11)17-24-14(15(20)27-17)16(26)23-9-6-22-25(8-9)10-4-5-21-7-10/h1-3,6,8,10,21H,4-5,7,20H2,(H,23,26)
InChIKeyBCYIVSQUTOLPMH-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.65
Rot. Bonds4

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

5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53482901) has the molecular formula C17H16F2N6OS and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID53482901
Molecular FormulaC17H16F2N6OS
Molecular Weight390.42 g/mol
Exact Mass390.11
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CCNC2)c1
InChIInChI=1S/C17H16F2N6OS/c18-11-2-1-3-12(19)13(11)17-24-14(15(20)27-17)16(26)23-9-6-22-25(8-9)10-4-5-21-7-10/h1-3,6,8,10,21H,4-5,7,20H2,(H,23,26)
InChIKeyBCYIVSQUTOLPMH-UHFFFAOYSA-N
XLogP2.65
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 53482901) is 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CCNC2)c1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BCYIVSQUTOLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6OS/c18-11-2-1-3-12(19)13(11)17-24-14(15(20)27-17)16(26)23-9-6-22-25(8-9)10-4-5-21-7-10/h1-3,6,8,10,21H,4-5,7,20H2,(H,23,26).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53482901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).