1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide

C20H21F2N5OS — CID 138589854

IUPAC1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
SMILESCC(F)(F)CN1CCC(C(=O)Nc2ncc3ccc(-c4cncs4)cc3n2)CC1
InChIInChI=1S/C20H21F2N5OS/c1-20(21,22)11-27-6-4-13(5-7-27)18(28)26-19-24-9-15-3-2-14(8-16(15)25-19)17-10-23-12-29-17/h2-3,8-10,12-13H,4-7,11H2,1H3,(H,24,25,26,28)
InChIKeyAJAOYYABEFCZOX-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.06
Rot. Bonds5

About 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide

1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide (PubChem CID 138589854) has the molecular formula C20H21F2N5OS and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
PubChem CID138589854
Molecular FormulaC20H21F2N5OS
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
SMILESCC(F)(F)CN1CCC(C(=O)Nc2ncc3ccc(-c4cncs4)cc3n2)CC1
InChIInChI=1S/C20H21F2N5OS/c1-20(21,22)11-27-6-4-13(5-7-27)18(28)26-19-24-9-15-3-2-14(8-16(15)25-19)17-10-23-12-29-17/h2-3,8-10,12-13H,4-7,11H2,1H3,(H,24,25,26,28)
InChIKeyAJAOYYABEFCZOX-UHFFFAOYSA-N
XLogP4.06
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 91886057
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 1442829
(S)-N1-(5-(quinazolin-7-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880330
4-[[6-(5-Thiazolyl)-8-(trifluoromethyl)-4-quinazolinyl]amino]benzamide
CID 118736875
N-methyl-4-[[2-methyl-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide
CID 118736881
N-methyl-4-[[8-methyl-6-(1,3-thiazol-5-yl)-2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide
CID 118736882
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide
CID 163368445
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-6-ylacetamide
CID 163368462
2-(2-Phenyl-quinazolin-4-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 1072346
1-{[2-(methylthio)-5-pyrimidinyl]methyl}-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24792102
1-[(2-propylpyrimidin-5-yl)methyl]-N-(3-thiazol-4-ylphenyl)isonipecotamide
CID 24817517
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532373

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide (CID 138589854) is 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide is CC(F)(F)CN1CCC(C(=O)Nc2ncc3ccc(-c4cncs4)cc3n2)CC1.
What is the InChIKey of 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide?
The InChIKey is AJAOYYABEFCZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5OS/c1-20(21,22)11-27-6-4-13(5-7-27)18(28)26-19-24-9-15-3-2-14(8-16(15)25-19)17-10-23-12-29-17/h2-3,8-10,12-13H,4-7,11H2,1H3,(H,24,25,26,28).
What are the key properties of 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide?
1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138589854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).