5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

C19H22FN7OS — CID 53482332

IUPAC5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@H](N)C1
InChIInChI=1S/C19H22FN7OS/c1-26-19(27-8-4-5-11(21)10-27)14(9-23-26)24-17(28)15-16(22)29-18(25-15)12-6-2-3-7-13(12)20/h2-3,6-7,9,11H,4-5,8,10,21-22H2,1H3,(H,24,28)/t11-/m0/s1
InChIKeyOEPCHHARAQRIEP-NSHDSACASA-N
MW415.50 g/mol
LogP2.44
Rot. Bonds4

About 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 53482332) has the molecular formula C19H22FN7OS and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID53482332
Molecular FormulaC19H22FN7OS
Molecular Weight415.50 g/mol
Exact Mass415.16
IUPAC Name5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@H](N)C1
InChIInChI=1S/C19H22FN7OS/c1-26-19(27-8-4-5-11(21)10-27)14(9-23-26)24-17(28)15-16(22)29-18(25-15)12-6-2-3-7-13(12)20/h2-3,6-7,9,11H,4-5,8,10,21-22H2,1H3,(H,24,28)/t11-/m0/s1
InChIKeyOEPCHHARAQRIEP-NSHDSACASA-N
XLogP2.44
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.44
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-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 53482332) is 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@H](N)C1.
What is the InChIKey of 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OEPCHHARAQRIEP-NSHDSACASA-N. The full InChI is InChI=1S/C19H22FN7OS/c1-26-19(27-8-4-5-11(21)10-27)14(9-23-26)24-17(28)15-16(22)29-18(25-15)12-6-2-3-7-13(12)20/h2-3,6-7,9,11H,4-5,8,10,21-22H2,1H3,(H,24,28)/t11-/m0/s1.
What are the key properties of 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 2.44, 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-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53482332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).