N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

C22H22FN5O2S — CID 150457222

IUPACN-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4CC4)ccc3F)s2)ccn1
InChIInChI=1S/C22H22FN5O2S/c1-13(29)26-20-10-14(8-9-24-20)2-6-17-12-25-22(31-17)28-21(30)27-19-11-16(15-3-4-15)5-7-18(19)23/h5,7-12,15H,2-4,6H2,1H3,(H,24,26,29)(H2,25,27,28,30)
InChIKeyHPAQLJDXOORFHL-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.94
Rot. Bonds7

About N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (PubChem CID 150457222) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
PubChem CID150457222
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC NameN-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4CC4)ccc3F)s2)ccn1
InChIInChI=1S/C22H22FN5O2S/c1-13(29)26-20-10-14(8-9-24-20)2-6-17-12-25-22(31-17)28-21(30)27-19-11-16(15-3-4-15)5-7-18(19)23/h5,7-12,15H,2-4,6H2,1H3,(H,24,26,29)(H2,25,27,28,30)
InChIKeyHPAQLJDXOORFHL-UHFFFAOYSA-N
XLogP4.94
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (CID 150457222) is N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4CC4)ccc3F)s2)ccn1.
What is the InChIKey of N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The InChIKey is HPAQLJDXOORFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c1-13(29)26-20-10-14(8-9-24-20)2-6-17-12-25-22(31-17)28-21(30)27-19-11-16(15-3-4-15)5-7-18(19)23/h5,7-12,15H,2-4,6H2,1H3,(H,24,26,29)(H2,25,27,28,30).
What are the key properties of N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[(5-cyclopropyl-2-fluorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 150457222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).